Information card for entry 8102606

Structure parameters

• Chemical name: Poly{bis[1,2-bis(imidazole-1-ylmethyl)benzene] (1,4-cyclohexanedicarboxylato-)bis[chroline-cadmium(II)]} hydrate
• Formula: C36 H39 Cd2 Cl2 N8 O5
• Calculated formula: C36 H38 Cd2 Cl2 N8 O5
• Title of publication: Crystal structure of dichloro-(1,4-cyclohexanedicarboxylato)bis[1,2-bis(imidazole-1-ylmethyl)benzene]dicadmium(II) hydrate, Cd2Cl2(C14H14N4)2(C8H10O4) · H2O
• Authors of publication: Dao-Cheng Xia; Wan-Cheng Li; Shuang Han; Qiu-Ping Han; Wen-Chan Zhang; Hui-Xuan Ma
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 69
• a: 14.7945 ± 0.0009 Å
• b: 15.2763 ± 0.0008 Å
• c: 18.0741 ± 0.0012 Å
• α: 90°
• β: 113.29 ± 0.008°
• γ: 90°
• Cell volume: 3752 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No