Information card for entry 4115008

Structure parameters

• Formula: C28 H48 B Cl F4 Mo2 N12
• Calculated formula: C28 H48 B Cl F4 Mo2 N12
• SMILES: [B](F)(F)(F)[F-].C1CCN2C3=[N]1[Mo]145[Mo](N3CCC2)(Cl)([N]2=C3N1CCCN3CCC2)(N1C2=[N]4CCCN2CCC1)[N]1=C2N5CCCN2CCC1
• Title of publication: The Extraordinary Ability of Guanidinate Derivatives to Stabilize Higher Oxidation Numbers in Dimetal Units by Modification of Redox Potentials: Structures of Mo25+ and Mo26+ Compounds
• Authors of publication: F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Daren J. Timmons; Chad C. Wilkinson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9249 - 9256
• a: 14.4878 ± 0.0008 Å
• b: 14.4878 ± 0.0008 Å
• c: 16.3787 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3437.8 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.1353
• Weighted residual factors for significantly intense reflections: 0.0973
• Goodness-of-fit parameter for all reflections: 1.161
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No