Information card for entry 1512891

Structure parameters

• Formula: C42 H99 Co6 Mo15 N30 O91.5 P6
• Calculated formula: C42 H42 Co6 Mo15 N30 O91.5 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: 13.3722 ± 0.0009 Å
• b: 20.7095 ± 0.0014 Å
• c: 22.3043 ± 0.0016 Å
• α: 98.186 ± 0.001°
• β: 94.368 ± 0.001°
• γ: 100.239 ± 0.001°
• Cell volume: 5983.7 ± 0.7 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: 0.0777
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No