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In the title compound, which was prepared using a hydro­thermal reaction between 2,2′-bi­pyridine, cadmium(II) chloride and potassium 1,1,3,3-tetra­cyano-2-eth­oxy­propenide, the complex cations are linked into sheets by C—H...Cl hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S205698901601971X/wm5346sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S205698901601971X/wm5346Isup2.hkl
Contains datablock I

CCDC reference: 1521824

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.005 Å
  • H-atom completeness 97%
  • Disorder in solvent or counterion
  • R factor = 0.043
  • wR factor = 0.131
  • Data-to-parameter ratio = 30.2

checkCIF/PLATON results

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Alert level C PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ Please Check PLAT043_ALERT_1_C Calculated and Reported Mol. Weight Differ by .. 1.60 Check PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... Please Check PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. Please Check PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.894 Report PLAT910_ALERT_3_C Missing # of FCF Reflection(s) Below Theta(Min) 6 Note PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3 Report PLAT971_ALERT_2_C Check Calcd Residual Density 0.94A From Cd1 1.58 eA-3 PLAT973_ALERT_2_C Check Calcd Positive Residual Density on Cd1 1.25 eA-3 PLAT975_ALERT_2_C Check Calcd Residual Density 0.93A From O71 0.84 eA-3 PLAT975_ALERT_2_C Check Calcd Residual Density 0.82A From O71 0.72 eA-3 PLAT975_ALERT_2_C Check Calcd Residual Density 0.49A From O71 0.61 eA-3 PLAT975_ALERT_2_C Check Calcd Residual Density 0.71A From O71 0.55 eA-3
Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C58 H43.62 Cd2 Cl2 N16 O2.81 Atom count from the _atom_site data: C58 H42 Cd2 Cl2 N16 O2.806 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional? From the CIF: _cell_formula_units_Z 2 From the CIF: _chemical_formula_sum C58 H43.62 Cd2 Cl2 N16 O2.81 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 116.00 116.00 0.00 H 87.24 84.00 3.24 Cd 4.00 4.00 0.00 Cl 4.00 4.00 0.00 N 32.00 32.00 0.00 O 5.62 5.61 0.01 PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 10 Note PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 1 Report PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ Please Check PLAT171_ALERT_4_G The CIF-Embedded .res File Contains EADP Records 5 Report PLAT175_ALERT_4_G The CIF-Embedded .res File Contains SAME Records 1 Report PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd 2).. 36 % Note PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd 3).. 100 % Note PLAT304_ALERT_4_G Non-Integer Number of Atoms ( 0.40) in Resd. # 3 Check PLAT311_ALERT_2_G Isolated Disordered Oxygen Atom (No H's ?) ..... O71 Check PLAT789_ALERT_4_G Atoms with Negative _atom_site_disorder_group # 10 Check PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 7 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 15 Note PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF .... 3 Note PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ... 3 Note PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density. 3 Note
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 13 ALERT level C = Check. Ensure it is not caused by an omission or oversight 20 ALERT level G = General information/check it is not something unexpected 8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 12 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

Computing details top

Data collection: APEX2 (Bruker, 2009); cell refinement: APEX2 and SAINT (Bruker, 2009); data reduction: SAINT (Bruker, 2009); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: SHELXL2014 and PLATON (Spek, 2009).

meso-Di-µ-chlorido-bis[bis(2,2'-bipyridine)cadmium] bis(1,1,3,3-tetracyano-2-ethoxypropenide) 0.81-hydrate top
Crystal data top
[Cd2Cl2(C10H8N2)4](C9H5N4O)2·0.806H2OF(000) = 1312
Mr = 1305.29Dx = 1.490 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 12.425 (5) ÅCell parameters from 13115 reflections
b = 13.912 (5) Åθ = 1.7–35.4°
c = 17.382 (5) ŵ = 0.88 mm1
β = 104.395 (5)°T = 293 K
V = 2910.3 (18) Å3Prism, colourless
Z = 20.56 × 0.22 × 0.19 mm
Data collection top
Bruker APEXII CCD
diffractometer
8506 reflections with I > 2σ(I)
Radiation source: fine focus sealed tubeRint = 0.020
φ and ω scansθmax = 33.6°, θmin = 2.7°
Absorption correction: multi-scan
(SADABS; Bruker, 2009)
h = 1719
Tmin = 0.805, Tmax = 0.846k = 1821
44121 measured reflectionsl = 2726
11429 independent reflections
Refinement top
Refinement on F27 restraints
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.043H-atom parameters constrained
wR(F2) = 0.131 w = 1/[σ2(Fo2) + (0.0611P)2 + 2.0973P]
where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max = 0.003
11429 reflectionsΔρmax = 1.54 e Å3
379 parametersΔρmin = 0.79 e Å3
Special details top

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 (Å2) top
xyzUiso*/UeqOcc. (<1)
Cd10.48583 (2)0.63830 (2)0.50037 (2)0.03951 (6)
Cl10.45118 (7)0.49495 (4)0.58640 (4)0.04984 (15)
N110.4782 (2)0.75528 (15)0.59703 (11)0.0475 (5)
C120.5745 (2)0.77979 (18)0.64804 (13)0.0492 (6)
C130.5741 (4)0.8450 (2)0.70916 (18)0.0701 (10)
H130.64060.86250.74440.084*
C140.4754 (4)0.8833 (2)0.7174 (2)0.0754 (11)
H140.47490.92590.75850.090*
C150.3781 (4)0.8584 (2)0.6645 (2)0.0698 (10)
H150.31050.88400.66850.084*
C160.3835 (3)0.7944 (2)0.60539 (17)0.0599 (7)
H160.31770.77730.56920.072*
N210.66628 (18)0.67905 (16)0.57084 (13)0.0499 (5)
C220.6771 (2)0.73550 (19)0.63481 (14)0.0508 (6)
C230.7818 (3)0.7514 (3)0.6852 (2)0.0857 (12)
H230.78960.78980.73000.103*
C240.8734 (3)0.7099 (4)0.6682 (3)0.0975 (14)
H240.94350.72040.70150.117*
C250.8622 (3)0.6539 (3)0.6032 (3)0.0804 (11)
H250.92360.62580.59070.096*
C260.7561 (3)0.6397 (2)0.5559 (2)0.0618 (8)
H260.74740.60060.51130.074*
N310.46705 (18)0.74567 (14)0.39413 (11)0.0433 (4)
C320.3644 (2)0.76034 (16)0.34772 (13)0.0429 (5)
C330.3454 (3)0.8242 (2)0.28427 (16)0.0615 (7)
H330.27370.83420.25320.074*
C340.4343 (4)0.8727 (2)0.2680 (2)0.0743 (11)
H340.42310.91530.22560.089*
C350.5395 (4)0.8574 (2)0.3153 (2)0.0707 (10)
H350.60050.88940.30550.085*
C360.5519 (3)0.7931 (2)0.37774 (18)0.0575 (6)
H360.62290.78260.40980.069*
N410.29665 (17)0.65857 (15)0.43755 (12)0.0440 (4)
C420.2726 (2)0.70543 (17)0.36817 (13)0.0430 (5)
C430.1653 (3)0.7022 (3)0.31844 (19)0.0650 (8)
H430.14960.73270.26930.078*
C440.0835 (3)0.6536 (3)0.3426 (2)0.0775 (11)
H440.01180.65110.31000.093*
C450.1075 (3)0.6094 (3)0.4144 (3)0.0710 (9)
H450.05250.57770.43240.085*
C460.2157 (2)0.6125 (2)0.4601 (2)0.0580 (7)
H460.23270.58090.50880.070*
C520.0654 (3)1.0993 (2)0.5745 (2)0.0675 (8)
C530.0125 (3)1.1611 (3)0.5323 (2)0.0673 (8)
C510.0135 (3)1.0558 (3)0.6467 (2)0.0742 (9)0.75 (2)
C5110.0821 (7)1.0188 (7)0.6947 (6)0.0706 (19)0.75 (2)
N5110.1340 (8)0.9934 (8)0.7366 (7)0.093 (3)0.75 (2)
C5120.1033 (4)1.0422 (18)0.6761 (8)0.0773 (16)0.75 (2)
N5120.1970 (5)1.0327 (16)0.6983 (9)0.096 (3)0.75 (2)
C610.0135 (3)1.0558 (3)0.6467 (2)0.0742 (9)0.25 (2)
C6110.062 (2)1.041 (2)0.7125 (12)0.0706 (19)0.25 (2)
N6110.105 (2)1.025 (2)0.7621 (13)0.093 (3)0.25 (2)
C6120.1045 (9)1.046 (6)0.664 (2)0.0773 (16)0.25 (2)
N6120.1961 (12)1.026 (5)0.676 (3)0.096 (3)0.25 (2)
C5310.0659 (3)1.1915 (3)0.4536 (2)0.0764 (10)
N5310.1062 (3)1.2178 (4)0.3913 (2)0.1098 (14)
C5320.0883 (3)1.2078 (3)0.5690 (2)0.0710 (8)
N5320.1683 (3)1.2487 (3)0.5991 (2)0.0916 (10)
O5210.1747 (2)1.08810 (18)0.54269 (17)0.0796 (7)
C5210.2240 (4)0.9924 (3)0.5284 (4)0.0941 (14)
H52A0.22300.97090.47540.113*
H52B0.18110.94720.56640.113*
C5220.3369 (4)0.9956 (3)0.5360 (4)0.1013 (16)
H52C0.38011.03710.49590.152*
H52D0.33771.01980.58760.152*
H52E0.36790.93210.52970.152*
O710.1575 (6)0.4775 (5)0.6000 (4)0.080*0.403 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.04263 (10)0.03855 (9)0.03202 (8)0.00263 (6)0.00077 (6)0.00296 (5)
Cl10.0755 (4)0.0419 (3)0.0324 (2)0.0095 (3)0.0140 (3)0.00108 (18)
N110.0640 (13)0.0446 (10)0.0315 (8)0.0059 (9)0.0077 (8)0.0059 (7)
C120.0719 (16)0.0405 (11)0.0315 (10)0.0138 (11)0.0061 (10)0.0023 (8)
C130.107 (3)0.0564 (16)0.0434 (14)0.0262 (17)0.0129 (16)0.0149 (12)
C140.131 (4)0.0483 (15)0.0536 (17)0.0131 (19)0.036 (2)0.0152 (13)
C150.109 (3)0.0493 (15)0.0586 (18)0.0133 (16)0.0361 (19)0.0042 (12)
C160.0737 (19)0.0552 (15)0.0513 (14)0.0131 (14)0.0165 (13)0.0078 (12)
N210.0456 (11)0.0494 (11)0.0476 (11)0.0068 (9)0.0017 (8)0.0015 (9)
C220.0561 (14)0.0506 (13)0.0377 (11)0.0178 (11)0.0036 (10)0.0038 (9)
C230.073 (2)0.103 (3)0.064 (2)0.027 (2)0.0153 (17)0.0182 (19)
C240.0536 (19)0.118 (3)0.100 (3)0.019 (2)0.0207 (19)0.014 (3)
C250.0421 (15)0.090 (3)0.100 (3)0.0078 (15)0.0002 (17)0.003 (2)
C260.0429 (14)0.0633 (18)0.074 (2)0.0022 (12)0.0044 (13)0.0077 (14)
N310.0502 (11)0.0402 (9)0.0388 (9)0.0033 (8)0.0095 (8)0.0002 (7)
C320.0561 (13)0.0382 (10)0.0325 (9)0.0085 (9)0.0073 (9)0.0023 (8)
C330.087 (2)0.0510 (14)0.0423 (13)0.0154 (14)0.0079 (13)0.0107 (11)
C340.122 (3)0.0496 (16)0.0569 (18)0.0046 (17)0.032 (2)0.0134 (13)
C350.098 (3)0.0522 (16)0.074 (2)0.0134 (16)0.044 (2)0.0017 (14)
C360.0599 (16)0.0516 (14)0.0630 (17)0.0032 (12)0.0191 (13)0.0037 (12)
N410.0390 (9)0.0473 (10)0.0422 (10)0.0034 (8)0.0035 (8)0.0000 (8)
C420.0447 (11)0.0423 (11)0.0366 (10)0.0085 (9)0.0001 (8)0.0053 (8)
C430.0530 (15)0.074 (2)0.0545 (15)0.0074 (14)0.0115 (12)0.0021 (14)
C440.0452 (16)0.080 (2)0.091 (3)0.0009 (14)0.0145 (16)0.0062 (19)
C450.0438 (14)0.0609 (17)0.105 (3)0.0066 (13)0.0133 (16)0.0030 (18)
C460.0479 (14)0.0564 (15)0.0678 (18)0.0018 (12)0.0106 (13)0.0056 (13)
C520.0609 (18)0.0577 (17)0.087 (2)0.0086 (14)0.0240 (16)0.0011 (15)
C530.0604 (18)0.0683 (18)0.076 (2)0.0002 (15)0.0214 (16)0.0062 (16)
C510.0657 (19)0.0659 (19)0.097 (3)0.0163 (16)0.0318 (18)0.0096 (18)
C5110.066 (4)0.060 (4)0.084 (4)0.009 (3)0.016 (4)0.008 (3)
N5110.086 (4)0.095 (6)0.101 (5)0.015 (3)0.029 (4)0.025 (4)
C5120.073 (2)0.070 (3)0.093 (5)0.0224 (18)0.028 (2)0.011 (4)
N5120.074 (2)0.099 (4)0.116 (9)0.032 (2)0.026 (3)0.009 (7)
C610.0657 (19)0.0659 (19)0.097 (3)0.0163 (16)0.0318 (18)0.0096 (18)
C6110.066 (4)0.060 (4)0.084 (4)0.009 (3)0.016 (4)0.008 (3)
N6110.086 (4)0.095 (6)0.101 (5)0.015 (3)0.029 (4)0.025 (4)
C6120.073 (2)0.070 (3)0.093 (5)0.0224 (18)0.028 (2)0.011 (4)
N6120.074 (2)0.099 (4)0.116 (9)0.032 (2)0.026 (3)0.009 (7)
C5310.065 (2)0.090 (3)0.074 (2)0.0169 (18)0.0172 (17)0.0067 (19)
N5310.094 (3)0.154 (4)0.072 (2)0.035 (3)0.0030 (19)0.009 (2)
C5320.0626 (19)0.076 (2)0.076 (2)0.0026 (16)0.0196 (16)0.0064 (17)
N5320.0658 (19)0.107 (3)0.095 (2)0.0156 (18)0.0062 (17)0.007 (2)
O5210.0581 (13)0.0659 (14)0.113 (2)0.0043 (11)0.0186 (13)0.0077 (13)
C5210.098 (3)0.073 (3)0.114 (4)0.011 (2)0.031 (3)0.012 (2)
C5220.093 (3)0.089 (3)0.122 (4)0.025 (2)0.027 (3)0.009 (2)
Geometric parameters (Å, º) top
Cd1—N312.341 (2)C34—H340.9300
Cd1—N212.342 (2)C35—C361.385 (5)
Cd1—N412.350 (2)C35—H350.9300
Cd1—N112.358 (2)C36—H360.9300
Cd1—Cl12.5920 (9)N41—C461.332 (4)
Cd1—Cl1i2.6289 (8)N41—C421.338 (3)
Cl1—Cd1i2.6289 (8)C42—C431.397 (3)
N11—C161.337 (4)C43—C441.371 (5)
N11—C121.344 (3)C43—H430.9300
C12—C131.398 (4)C44—C451.356 (6)
C12—C221.485 (4)C44—H440.9300
C13—C141.376 (6)C45—C461.382 (4)
C13—H130.9300C45—H450.9300
C14—C151.369 (6)C46—H460.9300
C14—H140.9300C52—O5211.343 (4)
C15—C161.375 (4)C52—C531.397 (5)
C15—H150.9300C52—C511.398 (5)
C16—H160.9300C53—C5321.414 (5)
N21—C261.326 (4)C53—C5311.428 (6)
N21—C221.340 (3)C51—C5121.425 (6)
C22—C231.393 (4)C51—C5111.428 (6)
C23—C241.372 (6)C511—N5111.143 (6)
C23—H230.9300C512—N5121.139 (6)
C24—C251.351 (6)C611—N6111.145 (7)
C24—H240.9300C612—N6121.140 (8)
C25—C261.383 (4)C531—N5311.135 (5)
C25—H250.9300C532—N5321.152 (5)
C26—H260.9300O521—C5211.461 (4)
N31—C361.333 (4)C521—C5221.442 (7)
N31—C321.344 (3)C521—H52A0.9700
C32—C331.390 (3)C521—H52B0.9700
C32—C421.488 (4)C522—H52C0.9600
C33—C341.382 (6)C522—H52D0.9600
C33—H330.9300C522—H52E0.9600
C34—C351.377 (6)
N31—Cd1—N2198.79 (8)C33—C32—C42121.9 (2)
N31—Cd1—N4170.42 (8)C34—C33—C32119.1 (3)
N21—Cd1—N41158.62 (8)C34—C33—H33120.4
N31—Cd1—N1196.20 (8)C32—C33—H33120.4
N21—Cd1—N1170.30 (8)C35—C34—C33119.5 (3)
N41—Cd1—N1192.04 (8)C35—C34—H34120.3
N31—Cd1—Cl1161.37 (6)C33—C34—H34120.3
N21—Cd1—Cl199.17 (6)C34—C35—C36118.1 (3)
N41—Cd1—Cl194.01 (6)C34—C35—H35120.9
N11—Cd1—Cl194.48 (6)C36—C35—H35120.9
N31—Cd1—Cl1i89.01 (5)N31—C36—C35123.2 (3)
N21—Cd1—Cl1i95.04 (6)N31—C36—H36118.4
N41—Cd1—Cl1i102.95 (6)C35—C36—H36118.4
N11—Cd1—Cl1i165.01 (6)C46—N41—C42119.0 (2)
Cl1—Cd1—Cl1i84.51 (3)C46—N41—Cd1123.16 (18)
Cd1—Cl1—Cd1i95.49 (3)C42—N41—Cd1116.81 (17)
C16—N11—C12119.2 (2)N41—C42—C43120.5 (3)
C16—N11—Cd1123.40 (18)N41—C42—C32116.9 (2)
C12—N11—Cd1117.30 (18)C43—C42—C32122.6 (2)
N11—C12—C13119.7 (3)C44—C43—C42119.5 (3)
N11—C12—C22116.8 (2)C44—C43—H43120.2
C13—C12—C22123.6 (3)C42—C43—H43120.2
C14—C13—C12120.1 (3)C45—C44—C43119.7 (3)
C14—C13—H13119.9C45—C44—H44120.2
C12—C13—H13119.9C43—C44—H44120.2
C15—C14—C13119.6 (3)C44—C45—C46118.4 (3)
C15—C14—H14120.2C44—C45—H45120.8
C13—C14—H14120.2C46—C45—H45120.8
C14—C15—C16117.8 (4)N41—C46—C45122.9 (3)
C14—C15—H15121.1N41—C46—H46118.5
C16—C15—H15121.1C45—C46—H46118.5
N11—C16—C15123.6 (3)O521—C52—C53114.5 (3)
N11—C16—H16118.2O521—C52—C51120.9 (3)
C15—C16—H16118.2C53—C52—C51124.5 (3)
C26—N21—C22119.3 (2)C52—C53—C532121.6 (4)
C26—N21—Cd1122.74 (19)C52—C53—C531121.2 (3)
C22—N21—Cd1117.49 (18)C532—C53—C531116.5 (3)
N21—C22—C23120.0 (3)C52—C51—C512125.5 (6)
N21—C22—C12117.3 (2)C52—C51—C511118.1 (5)
C23—C22—C12122.7 (3)C512—C51—C511116.4 (5)
C24—C23—C22119.5 (3)N511—C511—C51175.7 (7)
C24—C23—H23120.2N512—C512—C51178.4 (15)
C22—C23—H23120.2N531—C531—C53177.9 (4)
C25—C24—C23120.2 (3)N532—C532—C53177.7 (4)
C25—C24—H24119.9C52—O521—C521120.9 (3)
C23—C24—H24119.9C522—C521—O521109.4 (4)
C24—C25—C26117.7 (4)C522—C521—H52A109.8
C24—C25—H25121.1O521—C521—H52A109.8
C26—C25—H25121.1C522—C521—H52B109.8
N21—C26—C25123.3 (3)O521—C521—H52B109.8
N21—C26—H26118.4H52A—C521—H52B108.3
C25—C26—H26118.4C521—C522—H52C109.5
C36—N31—C32118.6 (2)C521—C522—H52D109.5
C36—N31—Cd1123.74 (19)H52C—C522—H52D109.5
C32—N31—Cd1117.64 (16)C521—C522—H52E109.5
N31—C32—C33121.5 (3)H52C—C522—H52E109.5
N31—C32—C42116.6 (2)H52D—C522—H52E109.5
C16—N11—C12—C130.5 (4)C32—C33—C34—C350.5 (5)
Cd1—N11—C12—C13176.6 (2)C33—C34—C35—C360.2 (5)
C16—N11—C12—C22178.8 (2)C32—N31—C36—C350.3 (4)
Cd1—N11—C12—C224.1 (3)Cd1—N31—C36—C35179.1 (2)
N11—C12—C13—C140.5 (4)C34—C35—C36—N310.0 (5)
C22—C12—C13—C14179.7 (3)C46—N41—C42—C433.1 (4)
C12—C13—C14—C151.1 (5)Cd1—N41—C42—C43165.6 (2)
C13—C14—C15—C160.8 (5)C46—N41—C42—C32176.7 (2)
C12—N11—C16—C150.8 (4)Cd1—N41—C42—C3214.7 (3)
Cd1—N11—C16—C15176.1 (2)N31—C32—C42—N4110.4 (3)
C14—C15—C16—N110.1 (5)C33—C32—C42—N41169.1 (2)
C26—N21—C22—C230.7 (4)N31—C32—C42—C43169.9 (2)
Cd1—N21—C22—C23171.2 (2)C33—C32—C42—C4310.6 (4)
C26—N21—C22—C12178.6 (3)N41—C42—C43—C442.6 (4)
Cd1—N21—C22—C129.5 (3)C32—C42—C43—C44177.1 (3)
N11—C12—C22—N213.6 (3)C42—C43—C44—C450.0 (5)
C13—C12—C22—N21175.7 (3)C43—C44—C45—C461.9 (6)
N11—C12—C22—C23177.2 (3)C42—N41—C46—C451.1 (4)
C13—C12—C22—C233.6 (4)Cd1—N41—C46—C45166.8 (3)
N21—C22—C23—C240.8 (6)C44—C45—C46—N411.4 (5)
C12—C22—C23—C24178.4 (4)O521—C52—C53—C532157.0 (3)
C22—C23—C24—C250.2 (7)C51—C52—C53—C53219.1 (6)
C23—C24—C25—C260.6 (7)O521—C52—C53—C53113.2 (5)
C22—N21—C26—C250.1 (5)C51—C52—C53—C531170.6 (4)
Cd1—N21—C26—C25171.6 (3)O521—C52—C51—C512163.4 (13)
C24—C25—C26—N210.7 (6)C53—C52—C51—C51220.7 (14)
C36—N31—C32—C330.7 (3)O521—C52—C51—C51114.6 (7)
Cd1—N31—C32—C33178.77 (19)C53—C52—C51—C511161.4 (6)
C36—N31—C32—C42179.7 (2)C53—C52—O521—C521128.9 (4)
Cd1—N31—C32—C420.8 (3)C51—C52—O521—C52154.7 (5)
N31—C32—C33—C340.9 (4)C52—O521—C521—C522149.3 (4)
C42—C32—C33—C34179.7 (3)
Symmetry code: (i) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C14—H14···Cl1ii0.932.793.651 (4)154
C15—H15···N5120.932.633.456 (17)149
C15—H15···N6120.932.463.29 (5)149
C34—H34···Cl1iii0.932.823.705 (4)160
C46—H46···O710.932.493.292 (8)145
Symmetry codes: (ii) x+1, y+1/2, z+3/2; (iii) x, y+3/2, z1/2.
 

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