Information card for entry 7210005

Structure parameters

• Formula: C60 H61 Cd2 Mo8 N18 O38.5
• Calculated formula: C60 H34 Cd2 Mo8 N18 O38.5
• Title of publication: Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties
• Authors of publication: Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 5844
• a: 16.4725 ± 0.0007 Å
• b: 18.9713 ± 0.0004 Å
• c: 19.232 ± 0.0005 Å
• α: 108.409 ± 0.002°
• β: 108.935 ± 0.003°
• γ: 106.424 ± 0.003°
• Cell volume: 4871.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No