1-Benzylpiperazine-1,4-diium bis(perchlorate) monohydrate
Cherif Ben Nasr2010, Acta Crystallographica Section E Structure Reports Online
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In the title compound, C 11 H 18 N 2 2+ Á2ClO 4 À ÁH 2 O, one perchlorate anion is disordered over two orientations in a 0.66 (3):0.34 (3) ratio. Intermolecular O-HÁ Á ÁO, N-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds link the cations, anions and water molecules into ribbons extending along [100]. Related literature For general background to the properties of perchlorate salts containing organic cations, see:
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organic compounds
Acta Crystallographica Section E
Data collection
Structure Reports
Online
Oxford Diffraction Xcalibur Atlas
Gemini ultra diffractometer
Absorption correction: analytical
(CrysAlis PRO; Oxford
Diffraction, 2006)
Tmin = 0.832, Tmax = 0.907
ISSN 1600-5368
1-Benzylpiperazine-1,4-diium
bis(perchlorate) monohydrate
a
32031 measured reflections
5885 independent reflections
3882 reflections with I > 2(I)
Rint = 0.045
Refinement
a
b
Kamel Kaabi, Meher El Glaoui, Erwann Jeanneau,
Mohamed Rzaiguia and Cherif Ben Nasra*
R[F 2 > 2(F 2)] = 0.066
wR(F 2) = 0.240
S = 1.12
5885 reflections
255 parameters
40 restraints
H-atom parameters constrained
max = 1.04 e Å3
min = 0.88 e Å3
a
Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021
Zarzouna, Tunisia, and bUniversité Lyon1, Centre de Diffractométrie Henri
Longchambon, 43 Boulevard du 11 Novembre 1918, 69622 Villeurbanne Cedex,
France
Correspondence e-mail: [email protected]
Received 7 May 2010; accepted 15 June 2010
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.004 Å;
disorder in main residue; R factor = 0.066; wR factor = 0.240; data-to-parameter
ratio = 23.1.
In the title compound, C11H18N22+2ClO4H2O, one perchlorate anion is disordered over two orientations in a
0.66 (3):0.34 (3) ratio. Intermolecular O—H O, N—H O
and C—H O hydrogen bonds link the cations, anions and
water molecules into ribbons extending along [100].
Related literature
For general background to the properties of perchlorate salts
containing organic cations, see: Czarnecki et al. (1994);
Czupinski et al. (2002, 2006). For related structures, see:
Antolini et al. (1982); Place & Willett (1988).
Table 1
Hydrogen-bond geometry (Å, ).
D—H A
D—H
H A
D A
D—H A
O9—H91 O4Ai
O9—H92 O5ii
N16—H161 O8
N19—H191 O9iii
N19—H192 O1Aiv
C17—H172 O6v
C20—H201 O7iv
C21—H212 O3A
0.81
0.82
0.90
0.89
0.89
0.97
0.95
0.96
2.27
2.06
2.15
1.92
2.08
2.48
2.49
2.48
2.942
2.869
2.964
2.750
2.907
3.446
3.406
3.130
141
170
151
155
154
172
160
125
(11)
(6)
(3)
(4)
(10)
(5)
(4)
(15)
Symmetry codes: (i) x þ 1; y; z þ 1; (ii) x þ 1; y 1; z; (iii) x; y þ 1; z; (iv)
x; y þ 1; z þ 1; (v) x þ 1; y; z.
Data collection: CrysAlis PRO (Oxford Diffraction, 2006); cell
refinement: CrysAlis PRO; data reduction: CrysAlis PRO;
program(s) used to solve structure: SIR97 (Altomare et al., 1999);
program(s) used to refine structure: SHELXL97 (Sheldrick, 2008);
molecular graphics: CAMERON (Watkin et al., 1996); software used
to prepare material for publication: SHELXL97.
We acknowledge support by the Secretary of State for
Scientific Research and Technology of Tunisia.
Supplementary data and figures for this paper are available from the
IUCr electronic archives (Reference: CV2717).
References
Experimental
Crystal data
C11H18N22+2ClO4H2O
Mr = 395.19
Triclinic, P1
a = 8.6632 (6) Å
b = 10.0197 (8) Å
c = 10.8831 (7) Å
= 70.184 (7)
= 83.946 (6)
o1722
Kaabi et al.
= 70.560 (7)
V = 838.05 (12) Å3
Z=2
Mo K radiation
= 0.44 mm1
T = 293 K
0.53 0.40 0.25 mm
Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C.,
Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J.
Appl. Cryst. 32, 115–119.
Antolini, L., Menabue, L., Pellacani, G. C., Monica, S. & Giuseppe, M. (1982).
Inorg. Chim. Acta, 58, 193–200.
Czarnecki, P., Nawrocik, W., Pajaxk, Z. & Nawrocik, J. (1994). J. Phys.
Condens. Matter, 6, 4955–4960.
Czupinski, O., Bator, G., Ciunik, Z., Jakubas, R., Medycki, W. & Wiergiel, J. S.
(2002). J. Phys. Condens. Matter, 14, 8497–8512.
Czupinski, O., Wojtas, M., Zaleski, J., Jakubas, R. & Medycki, W. (2006). J.
Phys. Condens. Matter, 88, 3307–3324.
Oxford Diffraction (2006). CrysAlis PRO. Oxford Diffraction Ltd, Abingdon,
England.
Place, H. & Willett, R. D. (1988). Acta Cryst. C44, 34–38.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.
Watkin, D. J., Prout, C. K. & Pearce, L. J. (1996). CAMERON. Chemical
Crystallography Laboratory, Oxford, England.
doi:10.1107/S1600536810023123
Acta Cryst. (2010). E66, o1722
supporting information
supporting information
Acta Cryst. (2010). E66, o1722
[doi:10.1107/S1600536810023123]
1-Benzylpiperazine-1,4-diium bis(perchlorate) monohydrate
Kamel Kaabi, Meher El Glaoui, Erwann Jeanneau, Mohamed Rzaigui and Cherif Ben Nasr
S1. Comment
Chemists and physicists of the solid state have shown an increasing interest in the study of perchlorate salts containing
organic cations in recent years owing to their great interesting properties such as ferroelectric and dielectric behaviours.
(Czarnecki et al., 1994; Czupinski et al., 2002; Czupinski et al., 2006). Here, we report the synthesis and the crystal
structure of the title compound (I), [C11H18N2]2+.2ClO4-.H2O.
The crystal structure of (I) (Fig.1), contains two ClO4- anions, a 1-benzylpiperazine-1,4-diium dication and a water
molecule. In its atomic arrangement, the ClO4- anions are associated per pair via O—H···O hydrogen bonds generated by
a water molecule to form [Cl2O8H2O]2- entities. The 1-benzylpiperazine-1,4-diium dications are associated to these
entities and connected them through N—H···O and C—H···O hydrogen bonds, leading to the formation of three
dimensional network. As expected, the ClO4 anion has typical tetrahedral geometry where the Cl—O bond lengths and O
—Cl—O angles are not equal to one another but very with the environment around the O atoms. In the title compound,
the Cl—O bond lengths vary from 1.382 (12) Å to 1.437 (7) Å for Cl1O4 anion and from 1.374 (3) Å to 1.484 (4) Å for
Cl2O4anion. The O—Cl—O angles range from 104.2 (14) ° to 119.3 (15) ° for the first anion and from 103.1 (2) °. to
118.4 (2) ° for the second one. These values clearly indicate that the coordination geometry of the Cl atom can be
regarded as being a distorted tetrahedron. However, for Cl2O4 tetrahedron all the oxygen atoms are involved in hydrogen
bonds, while only three oxygen atoms acts as acceptors of hydrogen bonds for the Cl1O4 tetrahedron.
S2. Refinement
All H atoms were located in a difference map, but those attached to carbon atoms were repositioned geometrically. The H
atoms were initially refined with soft restraints on the bond lengths and angles to regularize their geometry (C—H in the
range 0.93–0.98, N—H in the range 0.86–0.89 N—H to 0.86 O—H = 0.82 Å) and Uiso(H) (in the range 1.2–1.5 times Ueq
of the parent atom), after which the positions were refined with riding constraints. The rotational disorder observed for
one perchlorate anion (with Cl1) was modelized using two superimposed molecules with partial occupancies. The
molecules were then refined with restraints on the Cl—O bonds, O—Cl—O angles and displacement parameters of the
oxygen atoms
Acta Cryst. (2010). E66, o1722
sup-1
supporting information
Figure 1
View of (I), showing 50% probability displacement ellipsoids and arbitrary spheres for the H atoms. For the disordered
perchlorate anion, only major part is shown.
1-Benzylpiperazine-1,4-diium bis(perchlorate) monohydrate
Crystal data
C11H18N22+·2ClO4−·H2O
Mr = 395.19
Triclinic, P1
Hall symbol: -P 1
a = 8.6632 (6) Å
b = 10.0197 (8) Å
c = 10.8831 (7) Å
α = 70.184 (7)°
β = 83.946 (6)°
γ = 70.560 (7)°
V = 838.05 (12) Å3
Acta Cryst. (2010). E66, o1722
Z=2
F(000) = 412.000
Dx = 1.566 Mg m−3
Mo Kα radiation, λ = 0.7107 Å
Cell parameters from 13879 reflections
θ = 3.5–32.9°
µ = 0.44 mm−1
T = 293 K
Plate, colourless
0.53 × 0.40 × 0.25 mm
sup-2
supporting information
Data collection
Oxford Diffraction Xcalibur Atlas Gemini ultra
diffractometer
Radiation source: Enhance (Mo) X-ray Source
Graphite monochromator
Detector resolution: 10.4685 pixels mm-1
ω/2\ scans
Absorption correction: analytical
(CrysAlis PRO; Oxford Diffraction, 2006)
Tmin = 0.832, Tmax = 0.907
32031 measured reflections
5885 independent reflections
3882 reflections with I > 2σ(I)
Rint = 0.045
θmax = 33.0°, θmin = 3.5°
h = −13→13
k = −15→15
l = −15→16
Refinement
Refinement on F2
Least-squares matrix: full
R[F2 > 2σ(F2)] = 0.066
wR(F2) = 0.240
S = 1.12
5885 reflections
255 parameters
40 restraints
Primary atom site location: structure-invariant
direct methods
Secondary atom site location: difference Fourier
map
Hydrogen site location: inferred from
neighbouring sites
H-atom parameters constrained
w = 1/[σ2(Fo2) + (0.15P)2 + 0.05P]
where P = (Fo2 + 2Fc2)/3
(Δ/σ)max < 0.001
Δρmax = 1.04 e Å−3
Δρmin = −0.88 e Å−3
Extinction correction: SHELXL97 (Sheldrick,
2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Extinction coefficient: 0.062 (11)
Special details
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full
covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and
torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry.
An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)
N16
H161
N19
H191
H192
C17
H171
H172
C18
H181
H182
C20
H201
H202
C21
H211
H212
C22
x
y
z
Uiso*/Ueq
0.2509 (2)
0.1556
0.1505 (3)
0.2431
0.0729
0.2348 (3)
0.2003
0.3416
0.1106 (3)
0.1085
0.0026
0.1645 (4)
0.1960
0.0599
0.2923 (4)
0.3980
0.3022
0.3782 (3)
0.3896 (2)
0.3721
0.7088 (2)
0.7311
0.7939
0.5002 (3)
0.4603
0.5114
0.6496 (3)
0.7216
0.6393
0.5982 (3)
0.6349
0.5802
0.4523 (3)
0.4667
0.3805
0.2403 (3)
0.78548 (16)
0.7879
0.6477 (2)
0.6393
0.6086
0.8544 (2)
0.9431
0.8562
0.7878 (2)
0.8271
0.7937
0.5795 (2)
0.4910
0.5822
0.6457 (2)
0.6411
0.6022
0.8511 (3)
0.0377 (4)
0.045*
0.0507 (5)
0.061*
0.061*
0.0419 (4)
0.050*
0.050*
0.0490 (5)
0.059*
0.059*
0.0560 (6)
0.067*
0.067*
0.0502 (6)
0.060*
0.060*
0.0480 (5)
Acta Cryst. (2010). E66, o1722
Occ. (<1)
sup-3
supporting information
H221
H222
C23
C24
H241
C25
H251
C26
H261
C27
H271
C28
H281
Cl1
O1A
O2A
O3A
O4A
O1B
O2B
O3B
O4B
Cl2
O5
O6
O7
O8
O9
H91
H92
0.3960
0.4798
0.3262 (3)
0.3844 (4)
0.4594
0.3348 (4)
0.3758
0.2275 (4)
0.1933
0.1682 (4)
0.0944
0.2175 (3)
0.1822
0.19840 (7)
0.0878 (13)
0.2349 (11)
0.1333 (19)
0.3513 (9)
0.122 (3)
0.190 (4)
0.099 (2)
0.3506 (16)
−0.23663 (8)
−0.2245 (5)
−0.3698 (4)
−0.2735 (4)
−0.0873 (3)
0.4548 (3)
0.4625
0.5408
0.1769
0.2588
0.1631 (2)
0.1675 (3)
0.2183
0.0959 (3)
0.1010
0.0170 (3)
−0.0309
0.0116 (3)
−0.0426
0.0838 (3)
0.0763
0.07672 (7)
0.0586 (10)
−0.0512 (9)
0.2126 (12)
0.0646 (13)
0.082 (3)
−0.047 (2)
0.2007 (17)
0.098 (2)
0.44332 (8)
0.5724 (5)
0.5028 (5)
0.3526 (4)
0.3889 (4)
−0.2670 (3)
−0.1874
−0.3200
0.7969
0.8566
0.9849 (2)
1.0962 (3)
1.0883
1.2180 (3)
1.2910
1.2299 (3)
1.3131
1.1200 (3)
1.1291
0.9975 (2)
0.9236
0.62088 (5)
0.5438 (9)
0.7360 (6)
0.6492 (15)
0.5527 (11)
0.510 (2)
0.724 (2)
0.660 (2)
0.585 (2)
0.79535 (8)
0.6812 (5)
0.8630 (4)
0.7389 (3)
0.8630 (3)
0.5678 (3)
0.5194
0.6072
0.058*
0.058*
0.0423 (5)
0.0563 (6)
0.068*
0.0658 (8)
0.079*
0.0629 (7)
0.075*
0.0606 (7)
0.073*
0.0496 (5)
0.059*
0.0459 (2)
0.071 (2)
0.0630 (17)
0.095 (4)
0.086 (3)
0.101 (7)
0.105 (6)
0.064 (4)
0.080 (3)
0.0570 (2)
0.1421 (15)
0.1273 (13)
0.0951 (9)
0.0991 (10)
0.0757 (7)
0.114*
0.114*
0.66 (3)
0.66 (3)
0.66 (3)
0.66 (3)
0.34 (3)
0.34 (3)
0.34 (3)
0.34 (3)
Atomic displacement parameters (Å2)
N16
N19
C17
C18
C20
C21
C22
C23
C24
C25
C26
C27
C28
Cl1
U11
U22
U33
U12
U13
U23
0.0336 (8)
0.0463 (11)
0.0433 (11)
0.0464 (12)
0.0661 (17)
0.0606 (15)
0.0369 (10)
0.0362 (10)
0.0560 (14)
0.077 (2)
0.0640 (17)
0.0546 (15)
0.0476 (12)
0.0433 (3)
0.0422 (9)
0.0441 (10)
0.0430 (10)
0.0436 (11)
0.0639 (15)
0.0569 (14)
0.0437 (11)
0.0365 (9)
0.0472 (12)
0.0540 (15)
0.0517 (14)
0.0554 (14)
0.0539 (13)
0.0519 (3)
0.0420 (9)
0.0544 (11)
0.0421 (10)
0.0537 (12)
0.0410 (11)
0.0429 (11)
0.0629 (14)
0.0527 (11)
0.0656 (15)
0.0563 (15)
0.0544 (14)
0.0694 (17)
0.0515 (12)
0.0484 (3)
−0.0174 (7)
−0.0149 (8)
−0.0128 (9)
−0.0111 (9)
−0.0303 (13)
−0.0285 (12)
−0.0112 (9)
−0.0076 (8)
−0.0145 (11)
−0.0025 (14)
−0.0049 (12)
−0.0229 (12)
−0.0201 (10)
−0.0204 (2)
0.0030 (7)
−0.0041 (9)
−0.0001 (8)
0.0049 (10)
−0.0058 (11)
0.0128 (10)
0.0065 (10)
−0.0031 (9)
−0.0176 (12)
−0.0229 (14)
0.0031 (12)
0.0045 (13)
−0.0020 (10)
−0.0019 (2)
−0.0149 (7)
−0.0050 (8)
−0.0181 (9)
−0.0162 (10)
−0.0096 (10)
−0.0222 (10)
−0.0200 (10)
−0.0154 (8)
−0.0147 (11)
−0.0163 (12)
−0.0081 (11)
−0.0132 (13)
−0.0177 (10)
−0.0177 (2)
Acta Cryst. (2010). E66, o1722
sup-4
supporting information
O1A
O2A
O3A
O4A
O1B
O2B
O3B
O4B
Cl2
O5
O6
O7
O8
O9
0.079 (4)
0.073 (4)
0.123 (8)
0.074 (3)
0.088 (10)
0.130 (15)
0.060 (6)
0.060 (5)
0.0410 (3)
0.122 (3)
0.0690 (18)
0.111 (2)
0.0527 (14)
0.0635 (14)
0.062 (3)
0.065 (3)
0.077 (4)
0.085 (5)
0.134 (16)
0.093 (10)
0.054 (5)
0.094 (7)
0.0587 (4)
0.127 (3)
0.192 (3)
0.112 (2)
0.133 (3)
0.0607 (12)
0.078 (3)
0.044 (2)
0.112 (6)
0.088 (5)
0.104 (11)
0.125 (12)
0.071 (6)
0.116 (9)
0.0838 (5)
0.160 (3)
0.159 (3)
0.1031 (19)
0.103 (2)
0.1013 (17)
−0.032 (3)
−0.030 (2)
−0.038 (4)
−0.039 (3)
−0.017 (9)
−0.088 (11)
0.003 (5)
−0.047 (5)
−0.0185 (3)
−0.076 (2)
−0.029 (2)
−0.0633 (19)
−0.0300 (15)
−0.0305 (11)
−0.033 (3)
−0.007 (2)
−0.016 (5)
0.015 (3)
−0.025 (9)
0.070 (9)
−0.005 (4)
0.029 (5)
−0.0003 (3)
−0.022 (2)
0.0164 (18)
0.0164 (17)
−0.0070 (13)
0.0107 (12)
−0.010 (3)
0.0004 (17)
−0.050 (4)
−0.005 (3)
−0.078 (10)
−0.047 (8)
−0.029 (5)
−0.057 (7)
−0.0358 (3)
0.018 (2)
−0.120 (3)
−0.0613 (18)
−0.0256 (19)
−0.0167 (12)
Geometric parameters (Å, º)
N16—C21
N16—C17
N16—C22
N16—H161
N19—C18
N19—C20
N19—H191
N19—H192
C17—C18
C17—H171
C17—H172
C18—H181
C18—H182
C20—C21
C20—H201
C20—H202
C21—H211
C21—H212
C22—C23
C22—H221
C22—H222
C23—C24
C23—C28
1.491 (3)
1.499 (3)
1.519 (3)
0.8954
1.486 (3)
1.498 (4)
0.8898
0.8904
1.510 (3)
0.9685
0.9713
0.9500
0.9681
1.503 (4)
0.9532
0.9768
0.9671
0.9645
1.500 (3)
0.9721
0.9695
1.380 (3)
1.390 (3)
C24—C25
C24—H241
C25—C26
C25—H251
C26—C27
C26—H261
C27—C28
C27—H271
C28—H281
Cl1—O2B
Cl1—O4B
Cl1—O1B
Cl1—O3A
Cl1—O2A
Cl1—O3B
Cl1—O1A
Cl1—O4A
Cl2—O6
Cl2—O7
Cl2—O8
Cl2—O5
O9—H91
O9—H92
1.377 (4)
0.9313
1.379 (5)
0.9269
1.374 (5)
0.9388
1.384 (4)
0.9459
0.9242
1.382 (12)
1.398 (11)
1.409 (12)
1.416 (8)
1.427 (5)
1.430 (10)
1.430 (6)
1.437 (7)
1.374 (3)
1.386 (3)
1.405 (3)
1.484 (4)
0.8131
0.8189
C21—N16—C17
C21—N16—C22
C17—N16—C22
C21—N16—H161
C17—N16—H161
C22—N16—H161
C18—N19—C20
109.70 (17)
110.81 (18)
111.48 (17)
107.9
109.9
107.0
110.79 (19)
N16—C22—H222
H221—C22—H222
C24—C23—C28
C24—C23—C22
C28—C23—C22
C25—C24—C23
C25—C24—H241
108.0
108.4
118.9 (2)
121.7 (2)
119.3 (2)
120.8 (3)
120.0
Acta Cryst. (2010). E66, o1722
sup-5
supporting information
C18—N19—H191
C20—N19—H191
C18—N19—H192
C20—N19—H192
H191—N19—H192
N16—C17—C18
N16—C17—H171
C18—C17—H171
N16—C17—H172
C18—C17—H172
H171—C17—H172
N19—C18—C17
N19—C18—H181
C17—C18—H181
N19—C18—H182
C17—C18—H182
H181—C18—H182
N19—C20—C21
N19—C20—H201
C21—C20—H201
N19—C20—H202
C21—C20—H202
H201—C20—H202
N16—C21—C20
N16—C21—H211
C20—C21—H211
N16—C21—H212
C20—C21—H212
H211—C21—H212
C23—C22—N16
C23—C22—H221
N16—C22—H221
C23—C22—H222
110.7
110.0
110.1
109.1
106.1
111.57 (19)
108.2
109.2
108.2
110.4
109.2
111.1 (2)
107.3
111.0
108.7
109.9
108.7
110.0 (2)
110.1
108.4
110.0
108.6
109.7
111.0 (2)
109.0
110.0
109.1
110.5
107.1
111.90 (18)
109.6
108.8
110.1
C23—C24—H241
C24—C25—C26
C24—C25—H251
C26—C25—H251
C27—C26—C25
C27—C26—H261
C25—C26—H261
C26—C27—C28
C26—C27—H271
C28—C27—H271
C27—C28—C23
C27—C28—H281
C23—C28—H281
O2B—Cl1—O4B
O2B—Cl1—O1B
O4B—Cl1—O1B
O3A—Cl1—O2A
O2B—Cl1—O3B
O4B—Cl1—O3B
O1B—Cl1—O3B
O3A—Cl1—O1A
O2A—Cl1—O1A
O3A—Cl1—O4A
O2A—Cl1—O4A
O1A—Cl1—O4A
O6—Cl2—O7
O6—Cl2—O8
O7—Cl2—O8
O6—Cl2—O5
O7—Cl2—O5
O8—Cl2—O5
H91—O9—H92
119.2
120.0 (3)
118.8
121.1
119.9 (3)
120.3
119.7
120.1 (3)
119.3
120.5
120.2 (2)
120.4
119.4
119.3 (15)
109.0 (11)
109.0 (12)
112.5 (8)
104.2 (14)
107.6 (11)
107.0 (13)
111.9 (7)
107.1 (4)
112.7 (6)
104.5 (5)
107.8 (6)
109.7 (2)
114.0 (2)
118.4 (2)
104.5 (3)
103.1 (2)
105.4 (2)
111.3
Hydrogen-bond geometry (Å, º)
D—H···A
i
O9—H91···O4A
O9—H92···O5ii
N16—H161···O8
N19—H191···O9iii
N19—H192···O1Aiv
C17—H172···O6v
C20—H201···O7iv
C21—H212···O3A
D—H
H···A
D···A
D—H···A
0.81
0.82
0.90
0.89
0.89
0.97
0.95
0.96
2.27
2.06
2.15
1.92
2.08
2.48
2.49
2.48
2.942 (11)
2.869 (6)
2.964 (3)
2.750 (4)
2.907 (10)
3.446 (5)
3.406 (4)
3.130 (15)
141
170
151
155
154
172
160
125
Symmetry codes: (i) −x+1, −y, −z+1; (ii) x+1, y−1, z; (iii) x, y+1, z; (iv) −x, −y+1, −z+1; (v) x+1, y, z.
Acta Cryst. (2010). E66, o1722
sup-6
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