Information card for entry 4339443

Structure parameters

• Formula: C52 H66 F8 Mo8 N24 Ni2 O39
• Calculated formula: C52 H66 F8 Mo8 N24 Ni2 O39
• Title of publication: Syntheses and structures of organic-inorganic hybrid compounds based on metal-fluconazole coordination polymers and the beta-Mo8O26 anion.
• Authors of publication: Li, Shun-Li; Lan, Ya-Qian; Ma, Jian-Fang; Yang, Jin; Wang, Xiao-Hong; Su, Zhong-Min
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 8283 - 8290
• a: 9.95 ± 0.0004 Å
• b: 13.484 ± 0.0005 Å
• c: 16.367 ± 0.0007 Å
• α: 90.644 ± 0.001°
• β: 98.923 ± 0.001°
• γ: 90.18 ± 0.05°
• Cell volume: 2169.15 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No