Information card for entry 7012287

Structure parameters

• Formula: C67 H61 Mo N P4 Si
• Calculated formula: C67 H60 Mo N P4 Si
• SMILES: [Mo]1234([P](c5c([Si]4(c4ccccc4)c4c([P]3(CC[P]2(c2ccccc2)c2ccccc2)c2ccccc2)cccc4)cccc5)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)C#[N]c1c(cccc1C)C
• Title of publication: Reactions of quadruply chelated silyl- and germyl-molybdenum hydrido complexes with isocyanides: observation of the trans-influence on the silyl ligand
• Authors of publication: Minato, Makoto; Nishiuchi, Jun-ya; Kakeya, Masaki; Matsumoto, Takaomi; Yamaguchi, Yoshitaka; Ito, Takashi
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 483
• a: 14.298 ± 0.006 Å
• b: 17.097 ± 0.009 Å
• c: 12.788 ± 0.004 Å
• α: 104.04 ± 0.04°
• β: 113.3 ± 0.03°
• γ: 90.16 ± 0.05°
• Cell volume: 2768 ± 2 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No