Information card for entry 2100633

Structure parameters

• Formula: C12 H36 Mo8 N4 O30
• Calculated formula: C12 H28 Mo8 N4 O30
• Title of publication: Commensurate (C6H14N2)2[Mo8O26]·4H2O and incommensurate (C6H14N2)2[Mo8O26]·4.66H2O: a structural versatility linked to solvent content
• Authors of publication: M. Evain; V. Petricek; V. Coué; R. Dessapt; M. Bujoli-Doeuff; S. Jobic
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: 790 - 797
• a: 12.3378 ± 0.0015 Å
• b: 14.417 ± 0.002 Å
• c: 16.1439 ± 0.0016 Å
• α: 100.927 ± 0.009°
• β: 106.487 ± 0.008°
• γ: 104.11 ± 0.01°
• Cell volume: 2565 ± 0.6 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.43
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No