Information card for entry 7028409

Structure parameters

• Formula: C77 H65 Mo N2 O11 P7
• Calculated formula: C77 H65 Mo N2 O11 P7
• SMILES: [Mo]1234(OP5(=O)OP(=O)(OP(=O)(O5)O1)O2)(C#[O])(C#[O])[CH](=[CH2]3)C4.P(c1ccccc1)(c1ccccc1)(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.P(c1ccccc1)(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Facile synthesis of mononuclear early transition-metal complexes of κ3cyclo-tetrametaphosphate ([P4O12]4-) and cyclo-trimetaphosphate ([P3O9]3-.
• Authors of publication: Manna, Cesar M.; Nassar, Mostafa Y.; Tofan, Daniel; Chakarawet, Khetpakorn; Cummins, Christopher C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 1509 - 1518
• a: 29.871 ± 0.005 Å
• b: 13.004 ± 0.002 Å
• c: 20.9 ± 0.003 Å
• α: 90°
• β: 122.557 ± 0.002°
• γ: 90°
• Cell volume: 6842.7 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No