Information card for entry 8102489

Structure parameters

• Formula: C64 H52 N16 O18 Zn4
• Calculated formula: C64 H52 N16 O18 Zn4
• Title of publication: Crystal structure of tetrakis(m-4,4'-bipyridine-N,N')-octa(cyanoaceto)tetrazinc(II) — water (1:2), Zn4(C10H8N2)4(C3H2NO2)8 · 2H2O
• Authors of publication: Xun Feng; Tie-Chen Feng; Jian-She Zhao; Xin-Ge Shi; Fang Ruan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 541
• a: 28.914 ± 0.002 Å
• b: 17.122 ± 0.002 Å
• c: 15.8725 ± 0.0013 Å
• α: 90°
• β: 123.204 ± 0.002°
• γ: 90°
• Cell volume: 6574.9 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.1254
• Residual factor for significantly intense reflections: 0.1151
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No