Information card for entry 4072581

Structure parameters

• Formula: C30 H36 Mo O7 P2
• Calculated formula: C30 H36 Mo O7 P2
• SMILES: [Mo]([P@]12P([C@H]3[C@]4([C@@]2([C@@]1([C@@]3(C(=C4C)C)C)C)C)C(=O)OCC)C1(C(=C(C(=C1C)C)C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[Mo]([P@@]12P([C@@H]3[C@@]4([C@]2([C@]1([C@]3(C(=C4C)C)C)C)C)C(=O)OCC)C1(C(=C(C(=C1C)C)C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Metal-Directed Synthesis of Complexes Featuring Functional P,C-Cage Ligands: What Are the Intermediates?
• Authors of publication: Streubel, Rainer; Bode, Maren; von Frantzius, Gerd; Hrib, Cristian; Jones, Peter G.; Monsees, Axel
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1371
• a: 10.4632 ± 0.0011 Å
• b: 11.4976 ± 0.0011 Å
• c: 13.7306 ± 0.0012 Å
• α: 77.195 ± 0.004°
• β: 83.751 ± 0.004°
• γ: 76.866 ± 0.004°
• Cell volume: 1565.6 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No