Information card for entry 2225420

Structure parameters

• Chemical name: [μ-3-(8-Quinolyloxy)propanediyl]bis[dicarbonyl(η^5^- methoxycarbonylcyclopentadienyl)molybdenum]
• Formula: C30 H23 Mo2 N O9
• Calculated formula: C30 H23 Mo2 N O9
• SMILES: [Mo]23456([C](COc1cccc7cccnc17)(=[CH]28)[Mo]789%10%11([cH]1[c]7([cH]%11[cH]%10[cH]91)C(=O)OC)(C#[O])C#[O])([cH]1[cH]3[cH]4[cH]5[c]61C(=O)OC)(C#[O])C#[O]
• Title of publication: [μ-3-(8-Quinolyloxy)propanediyl]bis[dicarbonyl(η^5^-methoxycarbonylcyclopentadienyl)molybdenum(III)]
• Authors of publication: Guo, Ai-Ling; Zhao, Mei; Ma, Jian-Ping; Guo, Dian-Shun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m383 - m384
• a: 7.744 ± 0.001 Å
• b: 12.7189 ± 0.0016 Å
• c: 28.63 ± 0.003 Å
• α: 90°
• β: 100.012 ± 0.003°
• γ: 90°
• Cell volume: 2777 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes