Information card for entry 8102694

Structure parameters

• Chemical name: atena-poly[[(bis(1,3,5-tris(1-imidazolyl)benzene))zinc(II) monohydrate]bis(perchlorate)], [Zn(C~15~H~12~N~6~)~2~(H~2~O)]~n~.2(ClO~4~)
• Formula: C30 H26 Cl2 N12 O9 Zn
• Calculated formula: C30 H26 Cl2 N12 O9 Zn
• Title of publication: Crystal structure of catena-aqua(bis(1,3,5-tris(1-imidazolyl)benzene))zinc(II) perchlorate, [Zn(C15H12N6)2(H2O)](ClO4)2
• Authors of publication: Yi-Fang Deng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 331
• a: 21.2333 ± 0.0009 Å
• b: 21.2333 ± 0.0009 Å
• c: 15.1649 ± 0.0013 Å
• α: 90°
• β: 90 ± 0.001°
• γ: 90°
• Cell volume: 6837.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No