Information card for entry 7001600

Structure parameters

• Formula: C70 H59 Cl9 Mo N3 O5 P3
• Calculated formula: C70 H55 Cl9 Mo N3 O5 P3
• SMILES: [Mo]12([P](n3c(C(c4n([P]1(c1ccccc1)c1ccccc1)c1ccccc1c4C)c1n([P]2(c2ccccc2)c2ccccc2)c2ccccc2c1C)c(c1c3cccc1)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].ClC(Cl)Cl.ClC(Cl)Cl.C(Cl)(Cl)Cl.O.O
• Title of publication: Intramolecular apical Metal‒H‒Csp3 interaction in molybdenum and silver complexes
• Authors of publication: Ciclosi, Marco; Lloret, Julio; Estevan, Francisco; Sanaú, Mercedes; Pérez-Prieto, Julia
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 26
• Pages of publication: 5077 - 5082
• a: 21.492 ± 0.0005 Å
• b: 13.859 ± 0.0004 Å
• c: 25.634 ± 0.001 Å
• α: 90°
• β: 111.813 ± 0.0011°
• γ: 90°
• Cell volume: 7088.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1157
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.2565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No