Crystal structure of trans-diammine(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ⁴N)chromium(III) tetra­chlorido­zincate chloride monohydrate from synchrotron data

Four independent Cr^III ions are present in the title structure, each situated on an inversion centre and with a distorted octa­hedral coordination sphere by six N atoms (four from a cyclam ligand in the equatorial plane and two in axial positions). The crystal packing is stabilized by extensive hydrogen-bonding inter­actions between the mol­ecular and ionic moieties.

Key indicators

• Single-crystal synchrotron study
• T = 243 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.029
• wR factor = 0.084
• Data-to-parameter ratio = 28.4

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT420_ALERT_2_C D-H Without Acceptor       N1C    --  H1NC   ...     Please Check
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600        138 Report
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          8 Note
PLAT976_ALERT_2_C Check Calcd Residual Density  0.55A From     O2W      -0.41 eA-3
PLAT977_ALERT_2_C Check the Negative Difference Density on    H2NA      -0.32 eA-3
PLAT977_ALERT_2_C Check the Negative Difference Density on    H2ND      -0.31 eA-3
PLAT977_ALERT_2_C Check the Negative Difference Density on    H3ND      -0.36 eA-3

Alert level G
ABSMU01_ALERT_1_G  Calculation of _exptl_absorpt_correction_mu
                not performed for this radiation type.
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          6 Note
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms ..............         20 Report
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
PLAT066_ALERT_1_G Predicted and Reported Tmin&Tmax Range Identical          ? Check
PLAT154_ALERT_1_G The s.u.'s on the Cell Angles are Equal ..(Note)       0.03 Degree
PLAT172_ALERT_4_G The CIF-Embedded .res File Contains DFIX Records          2 Report
PLAT173_ALERT_4_G The CIF-Embedded .res File Contains DANG Records          2 Report
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cr1A   --  N1A     ..        8.2 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cr2B   --  N1B     ..        7.6 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cr3C   --  N1C     ..        7.3 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cr3C   --  N2C     ..        5.2 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cr3C   --  N3C     ..        5.2 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cr4D   --  N1D     ..        6.0 s.u.
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N1A    ..  CL3F    to        121 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N1A    ..  CL2W    to        140 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N2A    ..  CL2W    to        170 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for C1A    ..  CL4E    to        150 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N1B    ..  O1W     to        122 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N1B    ..  CL2E    to        147 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N2B    ..  CL1W    to        165 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N3B    ..  O1W     to        177 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N1C    ..  CL3F    to        140 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N1C    ..  O2W     to        111 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N2C    ..  O2W     to        167 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N3C    ..  CL2W    to        171 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for C5C    ..  CL4F    to        174 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N1D    ..  CL1W    to        154 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N1D    ..  CL1E    to        156 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for N2D    ..  CL1W    to        166 Degree
PLAT484_ALERT_4_G Round D-H..A Angle Rep for C1D    ..  CL1F    to        168 Degree
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........         56 Note
PLAT793_ALERT_4_G The Model has Chirality at N2A     (Centro SPGR)          S Verify
PLAT793_ALERT_4_G The Model has Chirality at N2B     (Centro SPGR)          S Verify
PLAT793_ALERT_4_G The Model has Chirality at N2C     (Centro SPGR)          S Verify
PLAT793_ALERT_4_G The Model has Chirality at N2D     (Centro SPGR)          R Verify
PLAT793_ALERT_4_G The Model has Chirality at N3A     (Centro SPGR)          R Verify
PLAT793_ALERT_4_G The Model has Chirality at N3B     (Centro SPGR)          R Verify
PLAT793_ALERT_4_G The Model has Chirality at N3C     (Centro SPGR)          R Verify
PLAT793_ALERT_4_G The Model has Chirality at N3D     (Centro SPGR)          S Verify
PLAT794_ALERT_5_G Tentative Bond Valency for Zn1E    (II)    .....       2.00 Note
PLAT794_ALERT_5_G Tentative Bond Valency for Zn2F    (II)    .....       1.95 Note
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............          6 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         87 Note
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density           1 Note

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   7 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  45 ALERT level G = General information/check it is not something unexpected

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  13 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
  29 ALERT type 4 Improvement, methodology, query or suggestion
   3 ALERT type 5 Informative message, check

---

Computing details

Data collection: PAL BL2D-SMDC Program (Shin et al., 2016); cell refinement: HKL3000sm (Otwinowski & Minor, 1997); data reduction: HKL3000sm (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXT2014 (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: DIAMOND (Putz & Brandenburg, 2014); software used to prepare material for publication: publCIF (Westrip, 2010).

trans-Diammine(1,4,8,11-tetraazacyclotetradecane-κN⁴)chromium(III) tetrachloridozincate chloride monohydrate

Crystal data

[Cr(C10H24N4)(NH3)2][ZnCl4]Cl·H2O	Z = 4
Mr = 547	F(000) = 1124
Triclinic, P1	Dx = 1.640 Mg m^−3
a = 9.3980 (19) Å	Synchrotron radiation, λ = 0.620 Å
b = 14.876 (3) Å	Cell parameters from 76389 reflections
c = 17.981 (4) Å	θ = 0.4–33.6°
α = 66.03 (3)°	µ = 1.50 mm^−1
β = 76.03 (3)°	T = 243 K
γ = 78.74 (3)°	Block, yellow
V = 2215.6 (10) Å^3	0.11 × 0.08 × 0.04 mm

Data collection

ADSC Q210 CCD area-detector diffractometer	11123 reflections with I > 2σ(I)
Radiation source: PLSII 2D bending magnet	Rint = 0.029
ω scan	θmax = 26.0°, θmin = 1.1°
Absorption correction: empirical (using intensity measurements) (HKL3000sm SCALEPACK; Otwinowski & Minor, 1997)	h = −13→13
Tmin = 0.850, Tmax = 0.938	k = −21→21
23883 measured reflections	l = −25→25
12905 independent reflections

Refinement

Refinement on F^2	6 restraints
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.029	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.084	w = 1/[σ^2(Fo^2) + (0.0513P)^2 + 0.1347P] where P = (Fo^2 + 2Fc^2)/3
S = 1.07	(Δ/σ)max = 0.002
12905 reflections	Δρmax = 0.66 e Å^−3
455 parameters	Δρmin = −0.76 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Cr1A	0.0000	0.5000	1.0000	0.00997 (6)
N1A	−0.05398 (13)	0.36162 (9)	1.01590 (7)	0.0164 (2)
H1NA	0.0293	0.3205	1.0125	0.025*
H2NA	−0.1031	0.3695	0.9761	0.025*
H3NA	−0.1111	0.3358	1.0658	0.025*
N2A	0.17264 (13)	0.42870 (9)	1.06157 (7)	0.0167 (2)
H1A	0.1790	0.3582	1.0695	0.020*
N3A	0.12143 (13)	0.51146 (9)	0.88534 (7)	0.0157 (2)
H2A	0.1219	0.4474	0.8806	0.019*
C1A	0.12606 (17)	0.43212 (12)	1.14593 (9)	0.0227 (3)
H1A1	0.1385	0.4971	1.1438	0.027*
H1A2	0.1870	0.3815	1.1838	0.027*
C2A	0.32146 (16)	0.46018 (12)	1.01888 (10)	0.0238 (3)
H2A1	0.3946	0.4181	1.0528	0.029*
H2A2	0.3230	0.5286	1.0127	0.029*
C3A	0.36314 (16)	0.45343 (13)	0.93376 (11)	0.0273 (3)
H3A1	0.4686	0.4605	0.9136	0.033*
H3A2	0.3483	0.3871	0.9400	0.033*
C4A	0.27855 (16)	0.52922 (12)	0.86811 (9)	0.0238 (3)
H4A1	0.2832	0.5956	0.8656	0.029*
H4A2	0.3257	0.5267	0.8140	0.029*
C5A	0.03428 (17)	0.58654 (12)	0.82368 (8)	0.0218 (3)
H5A1	0.0693	0.5810	0.7696	0.026*
H5A2	0.0457	0.6533	0.8177	0.026*
Cr2B	0.5000	0.5000	0.5000	0.01185 (6)
N1B	0.30918 (13)	0.57334 (9)	0.54783 (7)	0.0188 (2)
H1NB	0.2410	0.5307	0.5761	0.028*
H2NB	0.2731	0.6239	0.5060	0.028*
H3NB	0.3315	0.5969	0.5820	0.028*
N2B	0.44033 (14)	0.36582 (9)	0.58615 (8)	0.0204 (2)
H1B	0.5253	0.3162	0.5812	0.024*
N3B	0.62099 (14)	0.51975 (10)	0.57270 (8)	0.0218 (2)
H2B	0.7178	0.4803	0.5666	0.026*
C1B	0.3178 (2)	0.34242 (13)	0.55956 (12)	0.0317 (4)
H1B1	0.2242	0.3773	0.5768	0.038*
H1B2	0.3095	0.2712	0.5856	0.038*
C2B	0.40555 (19)	0.35503 (13)	0.67422 (10)	0.0299 (4)
H2B1	0.3851	0.2869	0.7092	0.036*
H2B2	0.3163	0.3990	0.6828	0.036*
C3B	0.5303 (2)	0.37936 (14)	0.70072 (10)	0.0318 (4)
H3B1	0.6206	0.3389	0.6873	0.038*
H3B2	0.5079	0.3591	0.7610	0.038*
C4B	0.5622 (2)	0.48701 (14)	0.66301 (10)	0.0300 (4)
H4B1	0.4712	0.5291	0.6725	0.036*
H4B2	0.6341	0.4950	0.6907	0.036*
C5B	0.6501 (2)	0.62542 (13)	0.53436 (12)	0.0315 (4)
H5B1	0.7347	0.6335	0.5531	0.038*
H5B2	0.5640	0.6667	0.5511	0.038*
Cr3C	0.5000	1.0000	0.0000	0.01576 (6)
N1C	0.54753 (15)	0.84509 (9)	0.04233 (8)	0.0240 (3)
H1NC	0.4628	0.8170	0.0595	0.036*
H2NC	0.5966	0.8240	0.0847	0.036*
H3NC	0.6036	0.8280	0.0009	0.036*
N2C	0.63796 (15)	1.01044 (11)	0.06889 (8)	0.0256 (3)
H1C	0.6218	1.0801	0.0645	0.031*
N3C	0.31688 (15)	0.98526 (10)	0.09225 (8)	0.0243 (3)
H2C	0.2794	1.0527	0.0913	0.029*
C1C	0.79153 (19)	0.99551 (16)	0.02512 (12)	0.0362 (4)
H1C1	0.8224	0.9246	0.0388	0.043*
H1C2	0.8590	1.0222	0.0429	0.043*
C2C	0.6153 (2)	0.94799 (15)	0.15942 (11)	0.0342 (4)
H2C1	0.6799	0.9657	0.1856	0.041*
H2C2	0.6432	0.8783	0.1669	0.041*
C3C	0.4561 (2)	0.96092 (15)	0.20207 (10)	0.0352 (4)
H3C1	0.4520	0.9271	0.2619	0.042*
H3C2	0.4278	1.0316	0.1908	0.042*
C4C	0.3413 (2)	0.92345 (13)	0.17816 (10)	0.0323 (4)
H4C1	0.3738	0.8550	0.1827	0.039*
H4C2	0.2479	0.9238	0.2168	0.039*
C5C	0.20231 (19)	0.95212 (15)	0.06752 (12)	0.0338 (4)
H5C1	0.1045	0.9676	0.0970	0.041*
H5C2	0.2198	0.8803	0.0822	0.041*
Cr4D	0.0000	0.0000	0.5000	0.00919 (6)
N1D	0.22787 (12)	−0.04570 (9)	0.48598 (7)	0.0160 (2)
H1ND	0.2753	−0.0002	0.4410	0.024*
H2ND	0.2450	−0.1042	0.4798	0.024*
H3ND	0.2609	−0.0523	0.5311	0.024*
N2D	0.02941 (13)	0.09509 (9)	0.55052 (8)	0.0177 (2)
H1D	−0.0667	0.1356	0.5558	0.021*
N3D	0.02438 (12)	0.10266 (9)	0.38037 (7)	0.0155 (2)
H2D	−0.0727	0.1423	0.3738	0.019*
C1D	0.05317 (18)	0.03371 (13)	0.63680 (10)	0.0255 (3)
H1D1	0.0337	0.0752	0.6695	0.031*
H1D2	0.1555	0.0031	0.6363	0.031*
C2D	0.13974 (19)	0.16666 (12)	0.50160 (11)	0.0284 (3)
H2D1	0.2385	0.1305	0.4978	0.034*
H2D2	0.1382	0.2108	0.5301	0.034*
C3D	0.1080 (2)	0.22836 (12)	0.41438 (12)	0.0320 (4)
H3D1	0.0048	0.2573	0.4193	0.038*
H3D2	0.1694	0.2832	0.3893	0.038*
C4D	0.13418 (17)	0.17441 (12)	0.35548 (10)	0.0264 (3)
H4D1	0.1281	0.2229	0.2994	0.032*
H4D2	0.2337	0.1390	0.3545	0.032*
C5D	0.05122 (17)	0.04541 (12)	0.32576 (9)	0.0238 (3)
H5D1	0.1536	0.0149	0.3213	0.029*
H5D2	0.0340	0.0896	0.2702	0.029*
Zn1E	0.61151 (2)	0.20650 (2)	0.29082 (2)	0.02403 (5)
Cl1E	0.53804 (5)	0.05903 (4)	0.38072 (3)	0.04285 (12)
Cl2E	0.72540 (4)	0.26657 (3)	0.35901 (2)	0.02630 (8)
Cl3E	0.79024 (5)	0.18205 (4)	0.18756 (3)	0.03439 (9)
Cl4E	0.43263 (5)	0.32125 (4)	0.23927 (3)	0.04760 (14)
Zn2F	0.01806 (2)	0.67654 (2)	0.21094 (2)	0.02221 (5)
Cl1F	−0.02844 (7)	0.79302 (4)	0.26421 (3)	0.04689 (13)
Cl2F	0.00187 (5)	0.52354 (3)	0.31592 (2)	0.02954 (8)
Cl3F	−0.16681 (4)	0.70070 (3)	0.13702 (2)	0.02651 (8)
Cl4F	0.23650 (5)	0.67718 (4)	0.12345 (3)	0.03785 (10)
Cl1W	0.72406 (5)	0.20867 (3)	0.60004 (2)	0.02949 (9)
Cl2W	0.20883 (5)	0.19663 (3)	0.10707 (3)	0.03019 (9)
O1W	0.09042 (18)	0.60251 (13)	0.43830 (10)	0.0463 (4)
H1O1	0.103 (3)	0.6621 (9)	0.4071 (13)	0.056*
H2O1	0.055 (3)	0.5784 (17)	0.4128 (14)	0.056*
O2W	0.55603 (19)	0.20704 (13)	0.07745 (10)	0.0473 (4)
H1O2	0.6248 (18)	0.211 (2)	0.0971 (15)	0.057*
H2O2	0.4729 (15)	0.215 (2)	0.1061 (14)	0.057*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cr1A	0.00887 (12)	0.00962 (12)	0.00992 (12)	−0.00051 (9)	−0.00151 (9)	−0.00252 (10)
N1A	0.0176 (5)	0.0146 (5)	0.0162 (5)	−0.0023 (4)	−0.0015 (4)	−0.0056 (4)
N2A	0.0132 (5)	0.0156 (5)	0.0202 (5)	0.0000 (4)	−0.0071 (4)	−0.0043 (5)
N3A	0.0147 (5)	0.0159 (5)	0.0150 (5)	−0.0033 (4)	0.0015 (4)	−0.0061 (4)
C1A	0.0261 (7)	0.0253 (7)	0.0168 (6)	−0.0044 (6)	−0.0111 (5)	−0.0031 (6)
C2A	0.0131 (6)	0.0249 (7)	0.0320 (8)	−0.0014 (5)	−0.0076 (5)	−0.0078 (6)
C3A	0.0127 (6)	0.0316 (8)	0.0361 (8)	0.0008 (6)	0.0006 (6)	−0.0155 (7)
C4A	0.0163 (6)	0.0289 (8)	0.0241 (7)	−0.0065 (5)	0.0062 (5)	−0.0117 (6)
C5A	0.0280 (7)	0.0240 (7)	0.0113 (6)	−0.0066 (6)	−0.0044 (5)	−0.0021 (5)
Cr2B	0.01081 (12)	0.01190 (13)	0.01273 (13)	−0.00091 (10)	0.00002 (10)	−0.00589 (11)
N1B	0.0173 (5)	0.0188 (6)	0.0183 (5)	0.0006 (4)	0.0005 (4)	−0.0081 (5)
N2B	0.0189 (6)	0.0160 (6)	0.0209 (6)	−0.0024 (4)	0.0027 (4)	−0.0048 (5)
N3B	0.0206 (6)	0.0259 (6)	0.0243 (6)	−0.0011 (5)	−0.0058 (5)	−0.0147 (5)
C1B	0.0276 (8)	0.0266 (8)	0.0400 (9)	−0.0135 (6)	0.0015 (7)	−0.0115 (7)
C2B	0.0306 (8)	0.0269 (8)	0.0184 (7)	0.0007 (6)	0.0054 (6)	−0.0018 (6)
C3B	0.0370 (9)	0.0351 (9)	0.0174 (7)	0.0065 (7)	−0.0056 (6)	−0.0081 (7)
C4B	0.0353 (9)	0.0363 (9)	0.0230 (7)	0.0062 (7)	−0.0104 (6)	−0.0175 (7)
C5B	0.0338 (9)	0.0286 (8)	0.0420 (10)	−0.0100 (7)	−0.0075 (7)	−0.0199 (8)
Cr3C	0.01463 (14)	0.01256 (14)	0.01522 (14)	0.00175 (11)	−0.00218 (11)	−0.00211 (11)
N1C	0.0272 (6)	0.0172 (6)	0.0221 (6)	0.0031 (5)	−0.0050 (5)	−0.0042 (5)
N2C	0.0237 (6)	0.0261 (7)	0.0250 (6)	−0.0005 (5)	−0.0076 (5)	−0.0069 (6)
N3C	0.0221 (6)	0.0203 (6)	0.0228 (6)	0.0000 (5)	0.0018 (5)	−0.0048 (5)
C1C	0.0201 (7)	0.0428 (11)	0.0411 (10)	0.0004 (7)	−0.0091 (7)	−0.0111 (9)
C2C	0.0407 (10)	0.0337 (9)	0.0252 (8)	0.0004 (8)	−0.0146 (7)	−0.0051 (7)
C3C	0.0482 (11)	0.0321 (9)	0.0191 (7)	−0.0011 (8)	−0.0037 (7)	−0.0061 (7)
C4C	0.0388 (9)	0.0270 (8)	0.0192 (7)	−0.0024 (7)	0.0040 (6)	−0.0024 (6)
C5C	0.0198 (7)	0.0373 (10)	0.0372 (9)	−0.0077 (7)	0.0014 (6)	−0.0087 (8)
Cr4D	0.00721 (11)	0.00831 (12)	0.01150 (12)	−0.00106 (9)	−0.00070 (9)	−0.00365 (10)
N1D	0.0103 (5)	0.0159 (5)	0.0192 (5)	−0.0007 (4)	−0.0014 (4)	−0.0050 (4)
N2D	0.0163 (5)	0.0159 (5)	0.0249 (6)	−0.0011 (4)	−0.0047 (4)	−0.0116 (5)
N3D	0.0123 (5)	0.0140 (5)	0.0156 (5)	−0.0012 (4)	−0.0018 (4)	−0.0015 (4)
C1D	0.0275 (7)	0.0327 (8)	0.0244 (7)	0.0014 (6)	−0.0093 (6)	−0.0183 (7)
C2D	0.0268 (8)	0.0224 (7)	0.0427 (9)	−0.0117 (6)	−0.0071 (7)	−0.0145 (7)
C3D	0.0342 (9)	0.0152 (7)	0.0440 (10)	−0.0122 (6)	−0.0086 (7)	−0.0037 (7)
C4D	0.0209 (7)	0.0220 (7)	0.0255 (7)	−0.0094 (6)	−0.0011 (6)	0.0032 (6)
C5D	0.0231 (7)	0.0316 (8)	0.0140 (6)	0.0018 (6)	−0.0018 (5)	−0.0090 (6)
Zn1E	0.01617 (8)	0.02918 (10)	0.01970 (9)	−0.00577 (7)	−0.00537 (6)	0.00052 (7)
Cl1E	0.02366 (19)	0.0392 (2)	0.0439 (3)	−0.01488 (18)	−0.00507 (17)	0.0108 (2)
Cl2E	0.02669 (18)	0.02502 (18)	0.02753 (18)	0.00389 (14)	−0.01067 (14)	−0.01004 (15)
Cl3E	0.0306 (2)	0.0393 (2)	0.02640 (19)	−0.00741 (17)	0.00146 (15)	−0.00763 (18)
Cl4E	0.02096 (19)	0.0463 (3)	0.0538 (3)	−0.00297 (18)	−0.01940 (19)	0.0098 (2)
Zn2F	0.02487 (9)	0.02355 (9)	0.02018 (9)	−0.00586 (7)	0.00014 (6)	−0.01115 (7)
Cl1F	0.0642 (3)	0.0419 (3)	0.0483 (3)	−0.0180 (2)	0.0050 (2)	−0.0338 (2)
Cl2F	0.0346 (2)	0.02632 (19)	0.02337 (17)	−0.00454 (15)	−0.00178 (15)	−0.00646 (15)
Cl3F	0.02952 (18)	0.02757 (18)	0.02467 (17)	0.00596 (14)	−0.00829 (14)	−0.01429 (15)
Cl4F	0.0297 (2)	0.0382 (2)	0.0430 (2)	−0.01085 (17)	0.01168 (17)	−0.0196 (2)
Cl1W	0.0332 (2)	0.02203 (17)	0.02665 (18)	0.01129 (15)	−0.00334 (15)	−0.01016 (15)
Cl2W	0.0311 (2)	0.01957 (17)	0.0317 (2)	0.00488 (14)	−0.00070 (15)	−0.00768 (15)
O1W	0.0420 (8)	0.0565 (10)	0.0491 (9)	0.0026 (7)	−0.0231 (7)	−0.0239 (8)
O2W	0.0468 (9)	0.0571 (10)	0.0496 (9)	−0.0097 (8)	−0.0099 (7)	−0.0294 (8)

Geometric parameters (Å, º)

Cr1A—N2A^i	2.0553 (13)	N1C—H1NC	0.9000
Cr1A—N2A	2.0553 (13)	N1C—H2NC	0.9000
Cr1A—N3A^i	2.0582 (13)	N1C—H3NC	0.9000
Cr1A—N3A	2.0582 (13)	N2C—C1C	1.490 (2)
Cr1A—N1A	2.1062 (13)	N2C—C2C	1.496 (2)
Cr1A—N1A^i	2.1062 (13)	N2C—H1C	0.9900
N1A—H1NA	0.9000	N3C—C5C	1.489 (2)
N1A—H2NA	0.9000	N3C—C4C	1.490 (2)
N1A—H3NA	0.9000	N3C—H2C	0.9900
N2A—C2A	1.4866 (19)	C1C—C5C^iii	1.517 (3)
N2A—C1A	1.4928 (19)	C1C—H1C1	0.9800
N2A—H1A	0.9900	C1C—H1C2	0.9800
N3A—C4A	1.4869 (19)	C2C—C3C	1.522 (3)
N3A—C5A	1.491 (2)	C2C—H2C1	0.9800
N3A—H2A	0.9900	C2C—H2C2	0.9800
C1A—C5A^i	1.513 (2)	C3C—C4C	1.521 (3)
C1A—H1A1	0.9800	C3C—H3C1	0.9800
C1A—H1A2	0.9800	C3C—H3C2	0.9800
C2A—C3A	1.525 (2)	C4C—H4C1	0.9800
C2A—H2A1	0.9800	C4C—H4C2	0.9800
C2A—H2A2	0.9800	C5C—C1C^iii	1.517 (3)
C3A—C4A	1.523 (2)	C5C—H5C1	0.9800
C3A—H3A1	0.9800	C5C—H5C2	0.9800
C3A—H3A2	0.9800	Cr4D—N2D^iv	2.0544 (12)
C4A—H4A1	0.9800	Cr4D—N2D	2.0544 (12)
C4A—H4A2	0.9800	Cr4D—N3D	2.0593 (14)
C5A—C1A^i	1.513 (2)	Cr4D—N3D^iv	2.0593 (14)
C5A—H5A1	0.9800	Cr4D—N1D^iv	2.1029 (12)
C5A—H5A2	0.9800	Cr4D—N1D	2.1029 (12)
Cr2B—N2B^ii	2.0501 (15)	N1D—H1ND	0.9000
Cr2B—N2B	2.0502 (15)	N1D—H2ND	0.9000
Cr2B—N3B	2.0611 (13)	N1D—H3ND	0.9000
Cr2B—N3B^ii	2.0611 (13)	N2D—C2D	1.487 (2)
Cr2B—N1B	2.0976 (13)	N2D—C1D	1.492 (2)
Cr2B—N1B^ii	2.0977 (13)	N2D—H1D	0.9900
N1B—H1NB	0.9000	N3D—C4D	1.491 (2)
N1B—H2NB	0.9000	N3D—C5D	1.4932 (19)
N1B—H3NB	0.9000	N3D—H2D	0.9900
N2B—C2B	1.485 (2)	C1D—C5D^iv	1.513 (2)
N2B—C1B	1.494 (2)	C1D—H1D1	0.9800
N2B—H1B	0.9900	C1D—H1D2	0.9800
N3B—C4B	1.486 (2)	C2D—C3D	1.530 (3)
N3B—C5B	1.489 (2)	C2D—H2D1	0.9800
N3B—H2B	0.9900	C2D—H2D2	0.9800
C1B—C5B^ii	1.525 (3)	C3D—C4D	1.521 (3)
C1B—H1B1	0.9800	C3D—H3D1	0.9800
C1B—H1B2	0.9800	C3D—H3D2	0.9800
C2B—C3B	1.519 (3)	C4D—H4D1	0.9800
C2B—H2B1	0.9800	C4D—H4D2	0.9800
C2B—H2B2	0.9800	C5D—C1D^iv	1.513 (2)
C3B—C4B	1.524 (3)	C5D—H5D1	0.9800
C3B—H3B1	0.9800	C5D—H5D2	0.9800
C3B—H3B2	0.9800	Zn1E—Cl4E	2.2238 (10)
C4B—H4B1	0.9800	Zn1E—Cl1E	2.2523 (11)
C4B—H4B2	0.9800	Zn1E—Cl3E	2.2817 (9)
C5B—C1B^ii	1.525 (3)	Zn1E—Cl2E	2.3118 (7)
C5B—H5B1	0.9800	Zn2F—Cl1F	2.2275 (7)
C5B—H5B2	0.9800	Zn2F—Cl4F	2.2640 (9)
Cr3C—N3C^iii	2.0579 (15)	Zn2F—Cl2F	2.2960 (11)
Cr3C—N3C	2.0579 (15)	Zn2F—Cl3F	2.3232 (8)
Cr3C—N2C^iii	2.0615 (15)	O1W—H1O1	0.848 (9)
Cr3C—N2C	2.0615 (15)	O1W—H2O1	0.836 (9)
Cr3C—N1C	2.1039 (14)	O2W—H1O2	0.832 (9)
Cr3C—N1C^iii	2.1039 (14)	O2W—H2O2	0.843 (9)
N2A^i—Cr1A—N2A	180.0	N3C—Cr3C—N1C	90.06 (6)
N2A^i—Cr1A—N3A^i	94.49 (5)	N2C^iii—Cr3C—N1C	88.08 (6)
N2A—Cr1A—N3A^i	85.51 (5)	N2C—Cr3C—N1C	91.92 (6)
N2A^i—Cr1A—N3A	85.51 (5)	N3C^iii—Cr3C—N1C^iii	90.05 (6)
N2A—Cr1A—N3A	94.49 (5)	N3C—Cr3C—N1C^iii	89.94 (6)
N3A^i—Cr1A—N3A	180.00 (4)	N2C^iii—Cr3C—N1C^iii	91.92 (6)
N2A^i—Cr1A—N1A	90.76 (5)	N2C—Cr3C—N1C^iii	88.08 (6)
N2A—Cr1A—N1A	89.24 (5)	N1C—Cr3C—N1C^iii	180.00 (8)
N3A^i—Cr1A—N1A	91.07 (6)	Cr3C—N1C—H1NC	109.5
N3A—Cr1A—N1A	88.93 (6)	Cr3C—N1C—H2NC	109.5
N2A^i—Cr1A—N1A^i	89.24 (5)	H1NC—N1C—H2NC	109.5
N2A—Cr1A—N1A^i	90.76 (5)	Cr3C—N1C—H3NC	109.5
N3A^i—Cr1A—N1A^i	88.93 (6)	H1NC—N1C—H3NC	109.5
N3A—Cr1A—N1A^i	91.07 (6)	H2NC—N1C—H3NC	109.5
N1A—Cr1A—N1A^i	180.00 (6)	C1C—N2C—C2C	113.16 (14)
Cr1A—N1A—H1NA	109.5	C1C—N2C—Cr3C	106.52 (11)
Cr1A—N1A—H2NA	109.5	C2C—N2C—Cr3C	117.72 (12)
H1NA—N1A—H2NA	109.5	C1C—N2C—H1C	106.2
Cr1A—N1A—H3NA	109.5	C2C—N2C—H1C	106.2
H1NA—N1A—H3NA	109.5	Cr3C—N2C—H1C	106.2
H2NA—N1A—H3NA	109.5	C5C—N3C—C4C	113.35 (14)
C2A—N2A—C1A	114.29 (12)	C5C—N3C—Cr3C	107.00 (10)
C2A—N2A—Cr1A	117.18 (9)	C4C—N3C—Cr3C	116.36 (11)
C1A—N2A—Cr1A	106.44 (9)	C5C—N3C—H2C	106.5
C2A—N2A—H1A	106.0	C4C—N3C—H2C	106.5
C1A—N2A—H1A	106.0	Cr3C—N3C—H2C	106.5
Cr1A—N2A—H1A	106.0	N2C—C1C—C5C^iii	109.33 (14)
C4A—N3A—C5A	113.52 (12)	N2C—C1C—H1C1	109.8
C4A—N3A—Cr1A	117.51 (9)	C5C^iii—C1C—H1C1	109.8
C5A—N3A—Cr1A	106.14 (9)	N2C—C1C—H1C2	109.8
C4A—N3A—H2A	106.3	C5C^iii—C1C—H1C2	109.8
C5A—N3A—H2A	106.3	H1C1—C1C—H1C2	108.3
Cr1A—N3A—H2A	106.3	N2C—C2C—C3C	112.24 (15)
N2A—C1A—C5A^i	108.42 (12)	N2C—C2C—H2C1	109.2
N2A—C1A—H1A1	110.0	C3C—C2C—H2C1	109.2
C5A^i—C1A—H1A1	110.0	N2C—C2C—H2C2	109.2
N2A—C1A—H1A2	110.0	C3C—C2C—H2C2	109.2
C5A^i—C1A—H1A2	110.0	H2C1—C2C—H2C2	107.9
H1A1—C1A—H1A2	108.4	C4C—C3C—C2C	116.90 (15)
N2A—C2A—C3A	111.60 (13)	C4C—C3C—H3C1	108.1
N2A—C2A—H2A1	109.3	C2C—C3C—H3C1	108.1
C3A—C2A—H2A1	109.3	C4C—C3C—H3C2	108.1
N2A—C2A—H2A2	109.3	C2C—C3C—H3C2	108.1
C3A—C2A—H2A2	109.3	H3C1—C3C—H3C2	107.3
H2A1—C2A—H2A2	108.0	N3C—C4C—C3C	111.92 (15)
C4A—C3A—C2A	115.86 (13)	N3C—C4C—H4C1	109.2
C4A—C3A—H3A1	108.3	C3C—C4C—H4C1	109.2
C2A—C3A—H3A1	108.3	N3C—C4C—H4C2	109.2
C4A—C3A—H3A2	108.3	C3C—C4C—H4C2	109.2
C2A—C3A—H3A2	108.3	H4C1—C4C—H4C2	107.9
H3A1—C3A—H3A2	107.4	N3C—C5C—C1C^iii	109.26 (15)
N3A—C4A—C3A	112.23 (13)	N3C—C5C—H5C1	109.8
N3A—C4A—H4A1	109.2	C1C^iii—C5C—H5C1	109.8
C3A—C4A—H4A1	109.2	N3C—C5C—H5C2	109.8
N3A—C4A—H4A2	109.2	C1C^iii—C5C—H5C2	109.8
C3A—C4A—H4A2	109.2	H5C1—C5C—H5C2	108.3
H4A1—C4A—H4A2	107.9	N2D^iv—Cr4D—N2D	180.0
N3A—C5A—C1A^i	108.15 (12)	N2D^iv—Cr4D—N3D	85.25 (5)
N3A—C5A—H5A1	110.1	N2D—Cr4D—N3D	94.75 (5)
C1A^i—C5A—H5A1	110.1	N2D^iv—Cr4D—N3D^iv	94.76 (5)
N3A—C5A—H5A2	110.1	N2D—Cr4D—N3D^iv	85.24 (5)
C1A^i—C5A—H5A2	110.1	N3D—Cr4D—N3D^iv	180.0
H5A1—C5A—H5A2	108.4	N2D^iv—Cr4D—N1D^iv	89.83 (5)
N2B^ii—Cr2B—N2B	180.0	N2D—Cr4D—N1D^iv	90.17 (5)
N2B^ii—Cr2B—N3B	85.91 (6)	N3D—Cr4D—N1D^iv	88.87 (6)
N2B—Cr2B—N3B	94.09 (6)	N3D^iv—Cr4D—N1D^iv	91.13 (6)
N2B^ii—Cr2B—N3B^ii	94.09 (6)	N2D^iv—Cr4D—N1D	90.17 (5)
N2B—Cr2B—N3B^ii	85.91 (6)	N2D—Cr4D—N1D	89.83 (5)
N3B—Cr2B—N3B^ii	180.00 (7)	N3D—Cr4D—N1D	91.13 (6)
N2B^ii—Cr2B—N1B	89.22 (6)	N3D^iv—Cr4D—N1D	88.87 (6)
N2B—Cr2B—N1B	90.78 (6)	N1D^iv—Cr4D—N1D	180.0
N3B—Cr2B—N1B	91.36 (5)	Cr4D—N1D—H1ND	109.5
N3B^ii—Cr2B—N1B	88.64 (5)	Cr4D—N1D—H2ND	109.5
N2B^ii—Cr2B—N1B^ii	90.78 (6)	H1ND—N1D—H2ND	109.5
N2B—Cr2B—N1B^ii	89.22 (6)	Cr4D—N1D—H3ND	109.5
N3B—Cr2B—N1B^ii	88.64 (5)	H1ND—N1D—H3ND	109.5
N3B^ii—Cr2B—N1B^ii	91.36 (5)	H2ND—N1D—H3ND	109.5
N1B—Cr2B—N1B^ii	180.00 (6)	C2D—N2D—C1D	114.07 (12)
Cr2B—N1B—H1NB	109.5	C2D—N2D—Cr4D	117.13 (10)
Cr2B—N1B—H2NB	109.5	C1D—N2D—Cr4D	107.05 (9)
H1NB—N1B—H2NB	109.5	C2D—N2D—H1D	105.9
Cr2B—N1B—H3NB	109.5	C1D—N2D—H1D	105.9
H1NB—N1B—H3NB	109.5	Cr4D—N2D—H1D	105.9
H2NB—N1B—H3NB	109.5	C4D—N3D—C5D	113.03 (12)
C2B—N2B—C1B	112.86 (13)	C4D—N3D—Cr4D	117.41 (10)
C2B—N2B—Cr2B	116.96 (11)	C5D—N3D—Cr4D	106.16 (9)
C1B—N2B—Cr2B	106.88 (10)	C4D—N3D—H2D	106.5
C2B—N2B—H1B	106.5	C5D—N3D—H2D	106.5
C1B—N2B—H1B	106.5	Cr4D—N3D—H2D	106.5
Cr2B—N2B—H1B	106.5	N2D—C1D—C5D^iv	108.07 (12)
C4B—N3B—C5B	112.83 (13)	N2D—C1D—H1D1	110.1
C4B—N3B—Cr2B	117.59 (11)	C5D^iv—C1D—H1D1	110.1
C5B—N3B—Cr2B	106.77 (10)	N2D—C1D—H1D2	110.1
C4B—N3B—H2B	106.3	C5D^iv—C1D—H1D2	110.1
C5B—N3B—H2B	106.3	H1D1—C1D—H1D2	108.4
Cr2B—N3B—H2B	106.3	N2D—C2D—C3D	111.55 (13)
N2B—C1B—C5B^ii	109.12 (14)	N2D—C2D—H2D1	109.3
N2B—C1B—H1B1	109.9	C3D—C2D—H2D1	109.3
C5B^ii—C1B—H1B1	109.9	N2D—C2D—H2D2	109.3
N2B—C1B—H1B2	109.9	C3D—C2D—H2D2	109.3
C5B^ii—C1B—H1B2	109.9	H2D1—C2D—H2D2	108.0
H1B1—C1B—H1B2	108.3	C4D—C3D—C2D	116.59 (14)
N2B—C2B—C3B	112.58 (14)	C4D—C3D—H3D1	108.1
N2B—C2B—H2B1	109.1	C2D—C3D—H3D1	108.1
C3B—C2B—H2B1	109.1	C4D—C3D—H3D2	108.1
N2B—C2B—H2B2	109.1	C2D—C3D—H3D2	108.1
C3B—C2B—H2B2	109.1	H3D1—C3D—H3D2	107.3
H2B1—C2B—H2B2	107.8	N3D—C4D—C3D	111.82 (13)
C2B—C3B—C4B	116.95 (15)	N3D—C4D—H4D1	109.3
C2B—C3B—H3B1	108.1	C3D—C4D—H4D1	109.3
C4B—C3B—H3B1	108.1	N3D—C4D—H4D2	109.3
C2B—C3B—H3B2	108.1	C3D—C4D—H4D2	109.3
C4B—C3B—H3B2	108.1	H4D1—C4D—H4D2	107.9
H3B1—C3B—H3B2	107.3	N3D—C5D—C1D^iv	108.31 (12)
N3B—C4B—C3B	112.03 (13)	N3D—C5D—H5D1	110.0
N3B—C4B—H4B1	109.2	C1D^iv—C5D—H5D1	110.0
C3B—C4B—H4B1	109.2	N3D—C5D—H5D2	110.0
N3B—C4B—H4B2	109.2	C1D^iv—C5D—H5D2	110.0
C3B—C4B—H4B2	109.2	H5D1—C5D—H5D2	108.4
H4B1—C4B—H4B2	107.9	Cl4E—Zn1E—Cl1E	115.38 (3)
N3B—C5B—C1B^ii	109.08 (13)	Cl4E—Zn1E—Cl3E	110.99 (3)
N3B—C5B—H5B1	109.9	Cl1E—Zn1E—Cl3E	108.75 (4)
C1B^ii—C5B—H5B1	109.9	Cl4E—Zn1E—Cl2E	107.79 (3)
N3B—C5B—H5B2	109.9	Cl1E—Zn1E—Cl2E	107.77 (3)
C1B^ii—C5B—H5B2	109.9	Cl3E—Zn1E—Cl2E	105.67 (3)
H5B1—C5B—H5B2	108.3	Cl1F—Zn2F—Cl4F	115.32 (3)
N3C^iii—Cr3C—N3C	180.00 (6)	Cl1F—Zn2F—Cl2F	109.63 (3)
N3C^iii—Cr3C—N2C^iii	94.32 (6)	Cl4F—Zn2F—Cl2F	109.79 (4)
N3C—Cr3C—N2C^iii	85.68 (6)	Cl1F—Zn2F—Cl3F	107.62 (3)
N3C^iii—Cr3C—N2C	85.68 (6)	Cl4F—Zn2F—Cl3F	107.31 (2)
N3C—Cr3C—N2C	94.32 (6)	Cl2F—Zn2F—Cl3F	106.77 (4)
N2C^iii—Cr3C—N2C	180.0	H1O1—O1W—H2O1	107.9 (19)
N3C^iii—Cr3C—N1C	89.94 (6)	H1O2—O2W—H2O2	112.1 (19)
C2A—N2A—C1A—C5A^i	171.57 (12)	C2C—N2C—C1C—C5C^iii	170.49 (16)
Cr1A—N2A—C1A—C5A^i	40.59 (14)	Cr3C—N2C—C1C—C5C^iii	39.61 (18)
C1A—N2A—C2A—C3A	179.11 (12)	C1C—N2C—C2C—C3C	−177.36 (16)
Cr1A—N2A—C2A—C3A	−55.38 (15)	Cr3C—N2C—C2C—C3C	−52.33 (19)
N2A—C2A—C3A—C4A	70.45 (18)	N2C—C2C—C3C—C4C	67.1 (2)
C5A—N3A—C4A—C3A	178.01 (12)	C5C—N3C—C4C—C3C	−178.55 (14)
Cr1A—N3A—C4A—C3A	53.37 (15)	Cr3C—N3C—C4C—C3C	56.74 (17)
C2A—C3A—C4A—N3A	−69.39 (18)	C2C—C3C—C4C—N3C	−69.9 (2)
C4A—N3A—C5A—C1A^i	−172.82 (12)	C4C—N3C—C5C—C1C^iii	−167.98 (14)
Cr1A—N3A—C5A—C1A^i	−42.24 (13)	Cr3C—N3C—C5C—C1C^iii	−38.36 (16)
C2B—N2B—C1B—C5B^ii	169.01 (14)	C2D—N2D—C1D—C5D^iv	−171.39 (12)
Cr2B—N2B—C1B—C5B^ii	39.06 (15)	Cr4D—N2D—C1D—C5D^iv	−40.14 (13)
C1B—N2B—C2B—C3B	−179.75 (14)	C1D—N2D—C2D—C3D	−179.09 (13)
Cr2B—N2B—C2B—C3B	−55.15 (16)	Cr4D—N2D—C2D—C3D	54.77 (16)
N2B—C2B—C3B—C4B	68.20 (19)	N2D—C2D—C3D—C4D	−70.12 (19)
C5B—N3B—C4B—C3B	178.83 (14)	C5D—N3D—C4D—C3D	−177.52 (13)
Cr2B—N3B—C4B—C3B	53.86 (17)	Cr4D—N3D—C4D—C3D	−53.38 (16)
C2B—C3B—C4B—N3B	−67.16 (19)	C2D—C3D—C4D—N3D	69.25 (19)
C4B—N3B—C5B—C1B^ii	−169.58 (14)	C4D—N3D—C5D—C1D^iv	172.59 (12)
Cr2B—N3B—C5B—C1B^ii	−38.92 (16)	Cr4D—N3D—C5D—C1D^iv	42.50 (13)

Symmetry codes: (i) −x, −y+1, −z+2; (ii) −x+1, −y+1, −z+1; (iii) −x+1, −y+2, −z; (iv) −x, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1A—H1NA···Cl3F^v	0.90	2.80	3.3602 (16)	121
N1A—H1NA···Cl2W^vi	0.90	2.60	3.3363 (18)	140
N1A—H3NA···Cl3E^vii	0.90	2.58	3.384 (2)	149
N2A—H1A···Cl2W^vi	0.99	2.20	3.1754 (15)	170
N3A—H2A···Cl3F^v	0.99	2.30	3.2752 (14)	170
C1A—H1A2···Cl4E^vi	0.98	2.59	3.4739 (19)	150
N1B—H2NB···Cl1W^ii	0.90	2.45	3.2683 (19)	152
N1B—H2NB···O1W	0.90	2.46	3.034 (2)	122
N1B—H3NB···Cl2E^ii	0.90	2.57	3.3556 (15)	147
N2B—H1B···Cl1W	0.99	2.20	3.1704 (17)	165
N3B—H2B···O1W^ii	0.99	1.98	2.968 (2)	177
N1C—H2NC···Cl3F^viii	0.90	2.68	3.4211 (19)	140
N1C—H3NC···Cl2W^ix	0.90	2.38	3.2673 (17)	167
N1C—H3NC···O2W^ix	0.90	2.54	2.975 (2)	111
N2C—H1C···O2W^x	0.99	1.96	2.932 (2)	167
N3C—H2C···Cl2W^x	0.99	2.23	3.2082 (16)	171
C5C—H5C2···Cl4F	0.98	2.79	3.761 (2)	174
N1D—H2ND···Cl1W^xi	0.90	2.45	3.2796 (15)	154
N1D—H3ND···Cl1E^xi	0.90	2.71	3.5516 (16)	156
N2D—H1D···Cl1W^xii	0.99	2.19	3.1589 (16)	166
N3D—H2D···Cl2E^xii	0.99	2.36	3.3276 (17)	166
C1D—H1D1···Cl1F^v	0.98	2.66	3.6278 (17)	168
C1D—H1D2···Cl1E^xi	0.98	2.83	3.803 (2)	172
O1W—H1O1···Cl1W^ii	0.85 (1)	2.70 (2)	3.341 (2)	134 (2)
O1W—H2O1···Cl2F	0.84 (1)	2.39 (1)	3.2066 (17)	167 (2)
O2W—H1O2···Cl3E	0.83 (1)	2.37 (1)	3.1763 (19)	162 (2)
O2W—H2O2···Cl2W	0.84 (1)	2.55 (2)	3.2009 (19)	135 (2)

Symmetry codes: (ii) −x+1, −y+1, −z+1; (v) −x, −y+1, −z+1; (vi) x, y, z+1; (vii) x−1, y, z+1; (viii) x+1, y, z; (ix) −x+1, −y+1, −z; (x) x, y+1, z; (xi) −x+1, −y, −z+1; (xii) x−1, y, z.