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In the title one-dimensional coordination polymer, [Cd(μ-DPIA)2(H2O)]n (DPIA is the 4,5-di­phenyl­imidazole-1-acetate monoanion, C17H13N2O2), each CdII atom exists in a pentagonal–bipyramidal coordination geometry, defined by four O atoms and two N atoms from two DPIA ligands [Cd—O = 2.389 (4)–2.455 (4) Å and Cd—N = 2.362 (5)–2.372 (5) Å] and one water mol­ecule [Cd—O(water) = 2.313 (2) Å]. Adjacent CdII ions are bridged by DPIA groups, forming an infinite chain structure. The Cd...Cd separation within the polymer is 7.650 (3) Å. The structure is stabilized by weak hydrogen-bonding interactions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680501295X/er6011sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680501295X/er6011Isup2.hkl
Contains datablock I

CCDC reference: 254247

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.008 Å
  • R factor = 0.034
  • wR factor = 0.091
  • Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.15 Ratio
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.48 From the CIF: _reflns_number_total 6181 Count of symmetry unique reflns 3447 Completeness (_total/calc) 179.32% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2734 Fraction of Friedel pairs measured 0.793 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976).

catena-Poly[[aquacadmium(II)]bis(µ-4,5-diphenyl-1H-imidazole-1-acetate- κ3N:O,O')] top
Crystal data top
[Cd(C17H13N2O2)2(H2O)]F(000) = 1392
Mr = 685.01Dx = 1.533 Mg m3
Orthorhombic, Pca21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2c -2acCell parameters from 22239 reflections
a = 15.096 (3) Åθ = 3.3–27.4°
b = 6.1108 (12) ŵ = 0.79 mm1
c = 32.164 (6) ÅT = 296 K
V = 2967.1 (10) Å3Prism, colorless
Z = 40.38 × 0.26 × 0.19 mm
Data collection top
Rigaku R-AXIS RAPID
diffractometer
6181 independent reflections
Radiation source: fine-focus sealed tube5488 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.034
Detector resolution: 10 pixels mm-1θmax = 27.5°, θmin = 3.3°
ω scansh = 1919
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 77
Tmin = 0.754, Tmax = 0.865l = 3841
23982 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.034H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.091 w = 1/[σ2(Fo2) + (0.0481P)2 + 1.6576P]
where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max < 0.001
6181 reflectionsΔρmax = 0.57 e Å3
403 parametersΔρmin = 0.55 e Å3
4 restraintsAbsolute structure: (Flack, 1983), 2734 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.02 (2)
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cd10.381806 (15)0.60214 (3)0.66001 (2)0.02791 (8)
N10.2683 (3)0.5501 (10)0.60997 (15)0.0335 (10)
N20.1685 (2)0.3253 (6)0.58428 (11)0.0328 (7)
N30.4934 (3)0.5467 (10)0.71040 (16)0.0357 (11)
N40.5945 (2)0.3200 (6)0.73489 (11)0.0341 (8)
O10.0177 (3)0.1112 (6)0.63473 (12)0.0584 (11)
O20.0016 (3)0.4444 (10)0.60964 (15)0.0498 (12)
O30.7860 (2)0.1170 (6)0.68547 (11)0.0523 (9)
O40.7625 (3)0.4461 (9)0.70957 (16)0.0489 (12)
O1W0.3810 (2)0.2237 (4)0.6592 (3)0.0448 (6)
C10.2113 (3)0.3959 (7)0.61847 (14)0.0350 (9)
C20.2621 (3)0.5856 (6)0.56710 (13)0.0292 (8)
C30.3173 (3)0.7499 (7)0.54663 (12)0.0318 (8)
C40.3343 (3)0.9488 (7)0.56675 (16)0.0396 (10)
C50.3882 (4)1.1036 (10)0.5477 (3)0.049 (2)
C60.4229 (4)1.0688 (9)0.5099 (2)0.0554 (14)
C70.4074 (5)0.8703 (12)0.4896 (2)0.0559 (16)
C80.3553 (4)0.7126 (9)0.50771 (15)0.0448 (11)
C90.1994 (3)0.4468 (7)0.55074 (13)0.0305 (8)
C100.1685 (3)0.4124 (8)0.50752 (16)0.0355 (10)
C110.1819 (4)0.2145 (8)0.48757 (15)0.0460 (11)
C120.1520 (4)0.1860 (10)0.44743 (17)0.0573 (13)
C130.1075 (4)0.3517 (12)0.42734 (16)0.0607 (16)
C140.0944 (4)0.5464 (13)0.4467 (2)0.0664 (16)
C150.1243 (4)0.5787 (10)0.4876 (2)0.0513 (13)
C160.0966 (3)0.1678 (8)0.58491 (17)0.0413 (11)
C170.0196 (3)0.2495 (9)0.61204 (13)0.0391 (11)
C180.5494 (3)0.3892 (8)0.70142 (13)0.0363 (9)
C190.5031 (3)0.5809 (7)0.75301 (13)0.0312 (8)
C200.4490 (3)0.7461 (7)0.77437 (14)0.0373 (9)
C210.4278 (3)0.9418 (7)0.75509 (15)0.0383 (10)
C220.3764 (4)1.0980 (11)0.7744 (4)0.053 (3)
C230.3466 (4)1.0583 (11)0.8152 (2)0.0631 (16)
C240.3675 (5)0.8661 (12)0.8348 (2)0.0587 (18)
C250.4188 (4)0.7098 (9)0.81479 (15)0.0460 (11)
C260.5657 (3)0.4416 (7)0.76786 (13)0.0320 (9)
C270.6001 (3)0.4101 (8)0.81050 (17)0.0372 (11)
C280.5896 (4)0.2130 (9)0.83129 (14)0.0465 (11)
C290.6223 (4)0.1886 (11)0.87158 (16)0.0614 (14)
C300.6658 (4)0.3572 (12)0.89041 (17)0.0649 (17)
C310.6758 (4)0.5554 (12)0.87056 (19)0.0662 (17)
C320.6437 (4)0.5793 (11)0.8299 (2)0.0577 (15)
C330.6663 (3)0.1614 (7)0.73259 (16)0.0389 (10)
C340.7436 (3)0.2509 (9)0.70732 (13)0.0390 (10)
H1W10.423 (3)0.136 (7)0.6535 (18)0.067*
H1W20.346 (3)0.163 (8)0.6764 (14)0.067*
H10.20130.34110.64500.042*
H40.30970.97710.59270.047*
H50.40051.23410.56140.059*
H60.45721.17640.49730.067*
H70.43250.84480.46360.067*
H80.34530.58090.49400.054*
H110.21090.10120.50120.055*
H120.16190.05390.43380.069*
H130.08630.33020.40050.073*
H140.06550.65910.43270.080*
H150.11430.71120.50100.062*
H16A0.11810.02940.59570.050*
H16B0.07560.14340.55680.050*
H180.55690.33200.67490.044*
H210.44880.96860.72840.046*
H220.36161.22720.76070.064*
H230.31271.16290.82890.076*
H240.34730.84030.86170.070*
H250.43310.58020.82840.055*
H280.56090.09700.81830.056*
H290.61430.05710.88570.074*
H300.68900.33810.91690.078*
H310.70340.67180.88390.079*
H320.65190.71100.81600.069*
H33A0.64480.02780.71980.047*
H33B0.68640.12640.76050.047*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.02459 (11)0.02781 (12)0.03134 (12)0.00038 (9)0.00100 (17)0.0007 (3)
N10.024 (2)0.046 (2)0.031 (3)0.006 (2)0.0021 (18)0.000 (2)
N20.0240 (18)0.0418 (18)0.0326 (18)0.0049 (14)0.0032 (12)0.0044 (16)
N30.029 (3)0.045 (2)0.034 (3)0.006 (2)0.001 (2)0.001 (3)
N40.0267 (19)0.0397 (18)0.0358 (19)0.0039 (14)0.0037 (13)0.0022 (17)
O10.055 (2)0.064 (2)0.056 (2)0.0292 (18)0.0229 (18)0.0146 (18)
O20.041 (3)0.066 (3)0.042 (3)0.016 (2)0.005 (2)0.009 (3)
O30.050 (2)0.061 (2)0.0462 (19)0.0247 (17)0.0189 (16)0.0117 (17)
O40.041 (3)0.051 (3)0.054 (3)0.012 (2)0.009 (2)0.001 (3)
O1W0.0381 (13)0.0281 (12)0.0683 (18)0.0038 (11)0.0141 (18)0.001 (4)
C10.025 (2)0.049 (3)0.031 (2)0.0070 (18)0.0004 (15)0.001 (2)
C20.0214 (19)0.033 (2)0.033 (2)0.0016 (14)0.0014 (14)0.0057 (17)
C30.027 (2)0.035 (2)0.034 (2)0.0013 (16)0.0050 (15)0.0021 (17)
C40.038 (2)0.034 (2)0.046 (3)0.0029 (17)0.0057 (19)0.000 (2)
C50.046 (4)0.038 (4)0.065 (6)0.006 (2)0.015 (3)0.000 (3)
C60.046 (3)0.060 (3)0.060 (3)0.016 (2)0.008 (2)0.019 (3)
C70.047 (3)0.078 (4)0.043 (3)0.014 (3)0.008 (3)0.006 (3)
C80.048 (3)0.053 (3)0.034 (2)0.010 (2)0.002 (2)0.001 (2)
C90.028 (2)0.037 (2)0.026 (2)0.0012 (15)0.0034 (14)0.0031 (17)
C100.022 (2)0.047 (3)0.037 (2)0.0026 (17)0.0005 (17)0.001 (2)
C110.057 (3)0.042 (3)0.039 (2)0.000 (2)0.004 (2)0.008 (2)
C120.069 (4)0.060 (3)0.043 (3)0.004 (3)0.001 (2)0.016 (3)
C130.057 (4)0.095 (5)0.030 (2)0.018 (3)0.005 (2)0.002 (3)
C140.063 (4)0.084 (4)0.052 (3)0.006 (3)0.017 (3)0.009 (3)
C150.044 (3)0.056 (4)0.054 (4)0.009 (2)0.007 (2)0.001 (3)
C160.031 (3)0.040 (2)0.053 (3)0.0059 (18)0.0105 (18)0.010 (2)
C170.028 (2)0.061 (3)0.028 (2)0.015 (2)0.0031 (15)0.013 (2)
C180.031 (2)0.050 (3)0.028 (2)0.0064 (18)0.0034 (15)0.003 (2)
C190.028 (2)0.040 (2)0.0259 (19)0.0011 (16)0.0020 (14)0.0011 (18)
C200.028 (2)0.040 (2)0.045 (2)0.0017 (17)0.0037 (17)0.006 (2)
C210.037 (2)0.038 (2)0.041 (2)0.0015 (17)0.0052 (18)0.0025 (19)
C220.043 (4)0.043 (5)0.074 (7)0.009 (2)0.019 (3)0.019 (3)
C230.047 (3)0.066 (4)0.076 (4)0.015 (3)0.003 (3)0.031 (3)
C240.059 (4)0.069 (4)0.048 (3)0.011 (3)0.013 (3)0.015 (3)
C250.045 (3)0.054 (3)0.039 (2)0.005 (2)0.006 (2)0.003 (2)
C260.023 (2)0.041 (2)0.032 (2)0.0032 (15)0.0043 (15)0.0050 (18)
C270.022 (2)0.050 (3)0.039 (3)0.0001 (17)0.0007 (17)0.005 (2)
C280.057 (3)0.046 (3)0.036 (2)0.004 (2)0.0015 (19)0.006 (2)
C290.078 (4)0.064 (3)0.041 (3)0.005 (3)0.001 (3)0.018 (3)
C300.064 (4)0.094 (5)0.036 (3)0.002 (3)0.014 (2)0.007 (3)
C310.066 (4)0.086 (4)0.047 (3)0.018 (3)0.017 (3)0.000 (3)
C320.044 (3)0.067 (4)0.062 (4)0.018 (3)0.014 (3)0.005 (3)
C330.030 (2)0.041 (2)0.046 (3)0.0058 (17)0.0080 (17)0.006 (2)
C340.023 (2)0.060 (3)0.035 (2)0.0121 (19)0.0004 (15)0.010 (2)
Geometric parameters (Å, º) top
Cd1—N12.372 (5)C10—C151.374 (8)
Cd1—N32.362 (5)C11—C121.379 (7)
Cd1—O1i2.455 (4)C11—H110.9300
Cd1—O2i2.409 (5)C12—C131.376 (9)
Cd1—O3ii2.389 (4)C12—H120.9300
Cd1—O4ii2.423 (5)C13—C141.36 (1)
Cd1—O1W2.313 (2)C13—H130.9300
O1—C171.251 (6)C14—C151.405 (9)
O2—C171.236 (7)C14—H140.9300
O3—C341.254 (6)C15—H150.9300
O4—C341.228 (7)C16—C171.536 (6)
Cd1—C17i2.744 (4)C16—H16A0.9700
Cd1—C34ii2.734 (4)C16—H16B0.9700
N1—C11.306 (7)C17—Cd1ii2.744 (4)
N1—C21.399 (7)C18—H180.9300
N2—C11.346 (5)C19—C261.358 (6)
N2—C91.390 (5)C19—C201.469 (6)
N2—C161.451 (6)C20—C211.385 (6)
N3—C181.313 (7)C20—C251.395 (6)
N3—C191.394 (7)C21—C221.378 (9)
N4—C181.343 (5)C21—H210.9300
N4—C261.366 (6)C22—C231.41 (1)
N4—C331.456 (5)C22—H220.9300
O1—Cd1ii2.455 (4)C23—C241.37 (1)
O2—Cd1ii2.409 (5)C23—H230.9300
O3—Cd1i2.389 (4)C24—C251.388 (8)
O4—Cd1i2.423 (5)C24—H240.9300
O1W—H1W10.85 (4)C25—H250.9300
O1W—H1W20.85 (4)C26—C271.479 (7)
C1—H10.9300C27—C281.387 (7)
C2—C31.462 (6)C27—C321.376 (8)
C2—C91.375 (6)C28—C291.394 (7)
C3—C41.401 (6)C28—H280.9300
C3—C81.395 (6)C29—C301.364 (9)
C4—C51.39 (1)C29—H290.9300
C4—H40.9300C30—C311.377 (9)
C5—C61.34 (1)C30—H300.9300
C5—H50.9300C31—C321.401 (8)
C6—C71.398 (9)C31—H310.9300
C6—H60.9300C32—H320.9300
C7—C81.373 (8)C33—C341.523 (6)
C7—H70.9300C33—H33A0.9700
C8—H80.9300C33—H33B0.9700
C9—C101.481 (6)C34—Cd1i2.734 (4)
C10—C111.384 (7)
N1—Cd1—O1i108.48 (17)C8—C3—C4118.7 (4)
N1—Cd1—O2i93.2 (2)C8—C7—C6120.4 (6)
N1—Cd1—O3ii83.78 (16)C8—C7—H7119.8
N1—Cd1—O4ii83.86 (11)C9—N2—C16128.1 (4)
N3—Cd1—N1164.03 (12)C9—C2—N1109.1 (4)
N3—Cd1—O1i83.64 (17)C9—C2—C3130.1 (4)
N3—Cd1—O2i85.63 (11)C10—C11—H11120.1
N3—Cd1—O3ii107.43 (17)C10—C15—C14119.3 (6)
N3—Cd1—O4ii93.5 (2)C10—C15—H15120.4
O2i—Cd1—O1i53.86 (16)C11—C10—C9120.9 (4)
O2i—Cd1—O4ii166.19 (12)C11—C12—H12119.8
O3ii—Cd1—O1i88.57 (10)C12—C11—C10119.8 (5)
O3ii—Cd1—O2i139.25 (16)C12—C11—H11120.1
O3ii—Cd1—O4ii53.97 (15)C12—C13—H13120.0
O4ii—Cd1—O1i139.79 (15)C13—C12—C11120.4 (5)
O1W—Cd1—N181.6 (2)C13—C12—H12119.8
O1W—Cd1—N382.4 (2)C13—C14—C15120.4 (6)
O1W—Cd1—O1i135.48 (14)C13—C14—H14119.8
O1W—Cd1—O2i83.0 (2)C14—C13—C12120.1 (5)
O1W—Cd1—O3ii135.95 (14)C14—C13—H13120.0
O1W—Cd1—O4ii83.2 (2)C14—C15—H15120.4
Cd1—O1W—H1W1129 (4)C15—C10—C11120.0 (5)
Cd1—O1W—H1W2116 (4)C15—C10—C9119.1 (5)
N1—Cd1—C17i102.14 (15)C15—C14—H14119.8
N1—Cd1—C34ii82.56 (15)C16—C17—Cd1ii179.5 (4)
N1—C1—N2112.1 (4)C17—O1—Cd1ii89.4 (3)
N1—C1—H1123.9C17—O2—Cd1ii91.9 (4)
N1—C2—C3120.8 (4)C17—C16—H16A109.4
N2—C1—H1123.9C17—C16—H16B109.4
N2—C9—C10123.1 (4)C18—N3—Cd1114.4 (4)
N2—C16—C17111.0 (4)C18—N3—C19104.9 (5)
N2—C16—H16A109.4C18—N4—C26106.8 (4)
N2—C16—H16B109.4C18—N4—C33123.2 (4)
N3—Cd1—C17i83.84 (16)C19—N3—Cd1136.8 (4)
N3—Cd1—C34ii102.08 (16)C19—C26—N4106.8 (4)
N3—C18—N4112.4 (4)C19—C26—C27130.7 (4)
N3—C18—H18123.8C20—C21—H21119.1
N3—C19—C20120.2 (4)C20—C25—H25119.8
N4—C18—H18123.8C21—C20—C19120.8 (4)
N4—C26—C27122.5 (4)C21—C20—C25118.6 (4)
N4—C33—C34111.0 (4)C21—C22—C23118.7 (7)
N4—C33—H33A109.4C21—C22—H22120.7
N4—C33—H33B109.4C25—C20—C19120.5 (4)
O1i—Cd1—C17i27.11 (14)C22—C21—C20121.8 (6)
O1i—Cd1—C34ii114.92 (13)C22—C21—H21119.1
O1—C17—Cd1ii63.5 (3)C22—C23—H23119.9
O1—C17—C16116.9 (5)C23—C22—H22120.7
O2i—Cd1—C17i26.75 (17)C23—C24—C25120.4 (7)
O2i—Cd1—C34ii166.07 (18)C23—C24—H24119.8
O2—C17—O1124.8 (5)C24—C23—C22120.2 (6)
O2—C17—Cd1ii61.3 (3)C24—C23—H23119.9
O2—C17—C16118.3 (4)C24—C25—C20120.3 (6)
O3ii—Cd1—C17i114.48 (13)C24—C25—H25119.8
O3ii—Cd1—C34ii27.28 (13)C25—C24—H24119.8
O3—C34—Cd1i60.9 (3)C26—N4—C33129.7 (4)
O3—C34—C33117.1 (5)C26—C19—N3109.0 (4)
O4ii—Cd1—C17i166.79 (17)C26—C19—C20130.8 (4)
O4ii—Cd1—C34ii26.70 (16)C27—C28—C29120.1 (5)
O4—C34—Cd1i62.4 (3)C27—C28—H28120.0
O4—C34—O3123.2 (5)C27—C32—C31120.7 (7)
O4—C34—C33119.6 (5)C27—C32—H32119.6
O1W—Cd1—C17i109.17 (17)C28—C27—C26121.3 (5)
O1W—Cd1—C34ii109.29 (17)C28—C29—H29119.9
C1—N1—Cd1115.5 (4)C29—C28—H28120.0
C1—N1—C2105.9 (4)C29—C30—C31120.8 (5)
C1—N2—C9107.6 (3)C29—C30—H30119.6
C1—N2—C16124.0 (4)C30—C29—C28120.1 (6)
C2—N1—Cd1134.1 (3)C30—C29—H29119.9
C2—C9—N2105.3 (4)C30—C31—C32119.1 (6)
C2—C9—C10131.6 (4)C30—C31—H31120.5
C3—C4—H4120.2C31—C30—H30119.6
C3—C8—H8120.0C31—C32—H32119.6
C4—C3—C2119.5 (4)C32—C27—C28119.2 (6)
C4—C5—H5119.3C32—C27—C26119.5 (5)
C5—C4—C3119.6 (6)C32—C31—H31120.5
C5—C4—H4120.2C33—C34—Cd1i177.8 (4)
C5—C6—C7119.7 (6)C34ii—Cd1—C17i141.53 (13)
C5—C6—H6120.1C34—O3—Cd1i91.9 (3)
C6—C5—C4121.4 (6)C34—O4—Cd1i90.9 (4)
C6—C5—H5119.3C34—C33—H33A109.4
C6—C7—H7119.8C34—C33—H33B109.4
C7—C6—H6120.1H1W1—O1W—H1W2109 (5)
C7—C8—C3120.1 (5)H16A—C16—H16B108.0
C7—C8—H8120.0H33A—C33—H33B108.0
C8—C3—C2121.8 (4)
Cd1—N1—C1—N2159.2 (3)C3—C2—C9—N2179.5 (4)
Cd1—N1—C2—C325.7 (7)C3—C2—C9—C101.8 (8)
Cd1—N1—C2—C9154.3 (4)C3—C4—C5—C61.5 (9)
Cd1—N3—C18—N4161.9 (3)C4—C3—C8—C70.7 (8)
Cd1—N3—C19—C2023.8 (8)C4—C5—C6—C72.2 (10)
Cd1—N3—C19—C26155.6 (5)C5—C6—C7—C81.4 (11)
Cd1ii—O1—C17—O20.6 (5)C6—C7—C8—C30.0 (10)
Cd1ii—O1—C17—C16179.7 (3)C8—C3—C4—C50.0 (7)
Cd1ii—O2—C17—O10.6 (5)C9—N2—C1—N11.0 (6)
Cd1ii—O2—C17—C16179.7 (3)C9—N2—C16—C17114.1 (5)
Cd1i—O3—C34—O42.1 (5)C9—C2—C3—C4141.5 (5)
Cd1i—O3—C34—C33179.1 (3)C9—C2—C3—C839.8 (7)
Cd1i—O4—C34—O32.0 (5)C9—C10—C11—C12179.6 (5)
Cd1i—O4—C34—C33179.1 (4)C9—C10—C15—C14179.6 (5)
N1—Cd1—N3—C1844.1 (11)C10—C11—C12—C131.2 (9)
N1—Cd1—N3—C19109.6 (9)C11—C10—C15—C141.0 (9)
N1—C2—C3—C438.5 (6)C11—C12—C13—C141.4 (9)
N1—C2—C3—C8140.3 (5)C12—C13—C14—C151.5 (10)
N1—C2—C9—N20.6 (5)C13—C14—C15—C101.3 (10)
N1—C2—C9—C10178.2 (5)C15—C10—C11—C121.0 (8)
N2—C9—C10—C1161.9 (6)C16—N2—C9—C2174.5 (4)
N2—C9—C10—C15116.7 (5)C16—N2—C9—C107.7 (7)
N2—C16—C17—O1139.3 (4)C16—N2—C1—N1174.8 (4)
N2—C16—C17—O241.5 (6)C17i—Cd1—N1—C1150.2 (4)
N3—Cd1—N1—C139.6 (11)C17i—Cd1—N1—C22.3 (6)
N3—Cd1—N1—C2112.9 (8)C17i—Cd1—N3—C1869.0 (4)
N3—C19—C20—C2136.9 (6)C17i—Cd1—N3—C19137.4 (6)
N3—C19—C20—C25144.0 (5)C18—N3—C19—C20179.1 (4)
N3—C19—C26—N40.4 (5)C18—N3—C19—C260.4 (6)
N3—C19—C26—C27179.4 (5)C18—N4—C26—C190.3 (5)
N4—C26—C27—C2861.7 (6)C18—N4—C26—C27179.4 (4)
N4—C26—C27—C32118.0 (6)C18—N4—C33—C3463.5 (6)
N4—C33—C34—O3144.8 (4)C19—N3—C18—N40.2 (6)
N4—C33—C34—O436.3 (6)C19—C20—C21—C22179.4 (5)
O1i—Cd1—N1—C1177.6 (4)C19—C20—C25—C24179.9 (6)
O1i—Cd1—N1—C225.1 (6)C19—C26—C27—C28117.2 (6)
O1i—Cd1—N3—C1896.2 (4)C19—C26—C27—C3263.0 (7)
O1i—Cd1—N3—C19110.1 (6)C20—C19—C26—N4179.0 (4)
O2i—Cd1—N1—C1124.8 (4)C20—C19—C26—C270.1 (8)
O2i—Cd1—N1—C227.7 (6)C20—C21—C22—C231.5 (9)
O2i—Cd1—N3—C1842.2 (4)C21—C20—C25—C240.9 (8)
O2i—Cd1—N3—C19164.2 (7)C21—C22—C23—C241.0 (10)
O3ii—Cd1—N1—C196.0 (4)C22—C23—C24—C250.5 (11)
O3ii—Cd1—N1—C2111.5 (5)C23—C24—C25—C200.5 (10)
O3ii—Cd1—N3—C18177.3 (4)C25—C20—C21—C221.4 (7)
O3ii—Cd1—N3—C1923.6 (6)C26—N4—C18—N30.0 (6)
O4ii—Cd1—N1—C141.7 (4)C26—N4—C33—C34109.0 (5)
O4ii—Cd1—N1—C2165.8 (6)C26—C19—C20—C21143.8 (5)
O4ii—Cd1—N3—C18124.0 (4)C26—C19—C20—C2535.4 (7)
O4ii—Cd1—N3—C1929.6 (7)C26—C27—C28—C29179.6 (5)
O1W—Cd1—N1—C142.3 (4)C26—C27—C32—C31179.0 (5)
O1W—Cd1—N1—C2110.2 (5)C27—C28—C29—C301.1 (9)
O1W—Cd1—N3—C1841.4 (4)C28—C27—C32—C311.2 (9)
O1W—Cd1—N3—C19112.3 (6)C28—C29—C30—C312.1 (10)
C1—N1—C2—C3179.9 (4)C29—C30—C31—C322.6 (10)
C1—N1—C2—C90.0 (5)C30—C31—C32—C272.2 (10)
C1—N2—C9—C21.0 (5)C32—C27—C28—C290.7 (8)
C1—N2—C9—C10178.9 (4)C33—N4—C18—N3174.0 (5)
C1—N2—C16—C1758.4 (6)C33—N4—C26—C19173.7 (4)
C2—N1—C1—N20.6 (6)C33—N4—C26—C277.1 (7)
C2—C3—C4—C5178.8 (5)C34ii—Cd1—N1—C168.6 (4)
C2—C3—C8—C7179.5 (6)C34ii—Cd1—N1—C2138.9 (5)
C2—C9—C10—C11115.4 (6)C34ii—Cd1—N3—C18149.6 (4)
C2—C9—C10—C1566.0 (7)C34ii—Cd1—N3—C194.1 (6)
Symmetry codes: (i) x+1/2, y+1, z; (ii) x1/2, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O1iii0.85 (4)1.86 (5)2.673 (5)160 (6)
O1W—H1W2···O3iv0.85 (4)1.96 (4)2.665 (5)140 (5)
Symmetry codes: (iii) x+1/2, y, z; (iv) x1/2, y, z.
 

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