Information card for entry 7009276

Structure parameters

• Formula: C102 H114 Mo2 N4 O6 Si4
• Calculated formula: C102 H114 Mo2 N4 O6 Si4
• SMILES: c1(c(cccc1C(C)C)C(C)C)N=[Mo]1(=Nc2c(cccc2C(C)C)C(C)C)O[Si](O[Si](O[Mo](=Nc2c(cccc2C(C)C)C(C)C)(=Nc2c(cccc2C(C)C)C(C)C)O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: High oxidation state imido metallasiloxanes: synthesis and structural characterisation of novel bis-imido chromium(VI) and molybdenum(VI) compounds †
• Authors of publication: King, Lawrence; Motevalli, Majid; Sullivan, Alice C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 1357
• a: 17.106 ± 0.006 Å
• b: 13.531 ± 0.008 Å
• c: 13.128 ± 0.007 Å
• α: 116.83 ± 0.05°
• β: 112.58 ± 0.03°
• γ: 90.83 ± 0.05°
• Cell volume: 2438 ± 3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.1229
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No