Information card for entry 4503578

Structure parameters

• Formula: C60 H70 K20 N24 Ni8 O77
• Calculated formula: C60 H12 K20 N24 Ni8 O77
• Title of publication: Cubic Metal−Organic Polyhedrons of Nickel(II) Imidazoledicarboxylate Depositing Protons or Alkali Metal Ions
• Authors of publication: Xu, Qiang; Zou, Ru-Qiang; Zhong, Rui-Qin; Kachi-Terajima, Chihiro; Takamizawa, Satoshi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 2458
• a: 26.4185 ± 0.0009 Å
• b: 17.164 ± 0.0006 Å
• c: 29.4732 ± 0.001 Å
• α: 90°
• β: 109.447 ± 0.002°
• γ: 90°
• Cell volume: 12602.1 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.154
• Residual factor for significantly intense reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.2961
• Weighted residual factors for all reflections included in the refinement: 0.3433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No