Information card for entry 8102288

Structure parameters

• Formula: C18 H32 Cl2 N12 O4 Zn
• Calculated formula: C18 H32 Cl2 N12 O4 Zn
• Title of publication: Crystal structure of hexaimidazolyl-zincum(II) dichloride tetrahydrate, [Zn(C3H4N2)6]Cl2 · 4H2O
• Authors of publication: Wen Wu; Xin Jian Yao; Ya Wen Xuan; Ji Min Xie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 251
• a: 8.8097 ± 0.0018 Å
• b: 9.0812 ± 0.0018 Å
• c: 10.586 ± 0.002 Å
• α: 75.08 ± 0.03°
• β: 83.14 ± 0.03°
• γ: 61.84 ± 0.03°
• Cell volume: 721.5 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No