Information card for entry 1520763

Structure parameters

• Formula: C20 H30 Mo6 N4 Na4 O48 P4
• Calculated formula: C20 H30 Mo6 N4 Na2.5 O48 P4
• SMILES: C12(CCC[NH2+]Cc3cc[nH+]cc3)O[Mo]34(=O)(=O)O[Mo]56([O]3P2(=O)O[Mo](OP1(=O)[O]45)(O[Mo]12(OP3(=O)[O]4[Mo]57(OC3(P(=O)([O]5[Mo]4(O7)(=O)(=O)O1)O2)CCC[NH2+]Cc1cc[nH+]cc1)(=O)=O)(=O)=O)(=O)(=O)O6)(=O)=O.[Na+].O.O.O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Fully Oxidized and Mixed-Valent Polyoxomolybdates Structured by Bisphosphonates with Pendant Pyridine Groups: Synthesis, Structure and Photochromic Properties
• Authors of publication: Oms, Olivier; Benali, Tarik; Marrot, Jérome; Mialane, Pierre; Puget, Marin; Serier-Brault, Hélène; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne
• Journal of publication: Inorganics
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 279
• a: 9.024 ± 0.0003 Å
• b: 19.4282 ± 0.0006 Å
• c: 21.1568 ± 0.0007 Å
• α: 103.992 ± 0.002°
• β: 95.5616 ± 0.0016°
• γ: 103.407 ± 0.0014°
• Cell volume: 3454.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No