Information card for entry 4119081

Structure parameters

• Formula: C28 H48 Cl2 Mo2 N12
• Calculated formula: C28 H48 Cl2 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: 9.9752 ± 0.0002 Å
• b: 9.9752 ± 0.0002 Å
• c: 15.8828 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1580.41 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for all reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.0706
• Goodness-of-fit parameter for all reflections: 1.137
• Goodness-of-fit parameter for significantly intense reflections: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No