Information card for entry 4119082

Structure parameters

• Formula: C34 H48 Cl20 D6 Mo2 N12
• Calculated formula: C34 H52.056 Cl20 Mo2 N12
• Title of publication: M2(hpp)4Cl2and M2(hpp)4, Where M = Mo and W: Preparations, Structure and Bonding, and Comparisons with C2, C2H2, and C2Cl2and the Hypothetical Molecules M2(hpp)4(H)2†
• Authors of publication: Chisholm, Malcolm H.; Gallucci, Judith; Hadad, Christopher M.; Huffman, John C.; Wilson, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Journal issue: 51
• Pages of publication: 16040 - 16049
• a: 10.3116 ± 0.0004 Å
• b: 11.1805 ± 0.0004 Å
• c: 13.2926 ± 0.0005 Å
• α: 75.702 ± 0.001°
• β: 81.705 ± 0.001°
• γ: 85.373 ± 0.001°
• Cell volume: 1467.86 ± 0.1 ų
• Cell temperature: 113 ± 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: 0.0567
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 0.772
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No