Information card for entry 4323259

Structure parameters

• Formula: C36 H72 Mo2 P4
• Calculated formula: C36 H72 Mo1.98 P4
• 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: 13.498 ± 0.003 Å
• b: 18.056 ± 0.005 Å
• c: 19.805 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4827 ± 2 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1756
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No