Information card for entry 4116901

Structure parameters

• Formula: C93 H99 Mo4 N12 O12
• Calculated formula: C92.5 H56 Mo4 N12 O12
• Title of publication: Compounds with Two Metal-Metal Multiple Bonds: New Ways of Making Doublets into Cyclic Quartets
• Authors of publication: F. Albert Cotton; Lee M. Daniels; Isabelle Guimet; Robert W. Henning; Glenn T. Jordan; Chun Lin; Carlos A. Murillo; Arthur J. Schultz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 12531 - 12538
• a: 14.555 ± 0.002 Å
• b: 17.001 ± 0.004 Å
• c: 17.179 ± 0.004 Å
• α: 87.49 ± 0.02°
• β: 84.48 ± 0.02°
• γ: 89.16 ± 0.02°
• Cell volume: 4226.9 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.098
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections: 0.1613
• Weighted residual factors for significantly intense reflections: 0.14
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No