Information card for entry 1512892

Structure parameters

• Formula: C42 H96 Mo15 N30 Ni6 O90 P6
• Calculated formula: C42 H42 Mo15 N30 Ni6 O90 P6
• Title of publication: Three-dimensional bimetallic oxides constructed from molybdophosphonate chains and secondary-metal/4-pyridyltetrazole components
• Authors of publication: Stephanie Jones; Kari Darling; Jon Zubieta
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 395
• Pages of publication: 89 - 94
• a: 13.3222 ± 0.0011 Å
• b: 20.5941 ± 0.0017 Å
• c: 22.403 ± 0.0018 Å
• α: 98.136 ± 0.002°
• β: 94.315 ± 0.002°
• γ: 100.023 ± 0.002°
• Cell volume: 5960.2 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.106
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No