Information card for entry 4323258

Structure parameters

• Formula: C24 H48 Mo2 P4
• Calculated formula: C24 H48 Mo2 P4
• SMILES: [Mo]([Mo]([P](C)(C)C)([P](C)(C)C)(C#CC)C#CC)([P](C)(C)C)([P](C)(C)C)(C#CC)C#CC
• Title of publication: Molecular Structures, Vibrational Spectroscopy, and Normal-Mode Analysis of M2(C\τbCR)4(PMe3)4 Dimetallatetraynes. Observation of Strongly Mixed Metal-Metal and Metal-Ligand Vibrational Modes
• Authors of publication: Kevin D. John; Vincent M. Miskowski; Michael A. Vance; Richard F. Dallinger; Louis C. Wang; Steven J. Geib; Michael D. Hopkins
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 6858 - 6873
• a: 11.673 ± 0.002 Å
• b: 16.317 ± 0.003 Å
• c: 18.568 ± 0.004 Å
• α: 108.98 ± 0.03°
• β: 92.28 ± 0.03°
• γ: 91.07 ± 0.03°
• Cell volume: 3339.8 ± 1.3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No