Information card for entry 7114826

Structure parameters

• Formula: C64 H66 Mo O4 P4 Si
• Calculated formula: C64 H64 Mo O4 P4 Si
• SMILES: [MoH2]1234([P@@](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1[Si]4(c1ccccc1[P@@]3(CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)OC(=O)C.O.O1CCCC1
• Title of publication: Reactions of quadruply chelated silyl‒ and germyl‒molybdenum hydrido complexes with carboxylic acids and carbon dioxide: a first example of carbon dioxide fixation utilizing the trans effect of a silyl ligand
• Authors of publication: Minato, Makoto; Zhou, Da-Yang; Sumiura, Ken-ichiro; Hirabayashi, Ryo; Yamaguchi, Yoshitaka; Ito, Takashi
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2654
• a: 23.858 ± 0.001 Å
• b: 12.1098 ± 0.0003 Å
• c: 19.5279 ± 0.0007 Å
• α: 90°
• β: 90.027 ± 0.001°
• γ: 90°
• Cell volume: 5641.9 ± 0.3 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.416
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No