Information card for entry 4324017

Structure parameters

• Formula: C27 H54 Mo2 N12 O4 S8
• Calculated formula: C27 H48 Mo2 N12 O4 S8
• Title of publication: Conversion of Dinuclear, Diamagnetic [MoV2O3(NCS)8]4- into Mononuclear, Paramagnetic [MoVO(NCS)5]2- through Photolytic Ligand Redistribution
• Authors of publication: Patricia C. Secrest; Steven J. Geib; N. John Cooper
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4182 - 4186
• a: 9.455 ± 0.002 Å
• b: 11.831 ± 0.002 Å
• c: 12.772 ± 0.003 Å
• α: 110.52 ± 0.03°
• β: 105.17 ± 0.03°
• γ: 98.63 ± 0.03°
• Cell volume: 1244.4 ± 0.6 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: 0.1044
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections: 0.1655
• Weighted residual factors for significantly intense reflections: 0.1392
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes