Information card for entry 7208068

Structure parameters

• Formula: C4 H54 Fe Mo4 N7 O36 P4
• Calculated formula: C4 H6 Fe Mo4 O26 P4
• Title of publication: A general synthesis approach in action: preparation and characterization of polyoxomolybdenum(vi) organophosphonates through oxidative Mo‒Mo bond cleavage in {MoV2O4}
• Authors of publication: Zhang, Lijuan; Sun, Jingmei; Zhou, Yunshan; ul Hassan, Sadaf; Wang, Enbo; Shi, Zonghai
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 4826
• a: 9.05 ± 0.0003 Å
• b: 19.4931 ± 0.0007 Å
• c: 12.0533 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2126.35 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No