Information card for entry 1564827

Structure parameters

• Formula: C3 H25 Mo N3 Na3 O19 P3
• Calculated formula: C3 H25 Mo N3 Na3 O19 P3
• SMILES: C1[N]23CP(=O)(O)O[Mo]43([NH2]O4)(N=O)(OP1(=O)[O-])OP(=O)(C2)[O-].O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+]
• Title of publication: The Trisodium Monohydrogen-Nitrilo-Tris-Methylenephosphonato-Hydroxylaminato-Nitrosyl-Molybdate Octahydrate Na3[Mo(NO)(NH2O){N(CH2PO3)3H}] 8H2O: Synthesis, Structure, and Nature of Coordination Bond of Transition Metal with Non-Innocent Ligand
• Authors of publication: Somov, N.V.; Chausov, F.F.; Zakirova, R.M.; Fedotova, I.V.; Lomova, N.V.; Shabanova, I.N.; Petrov, V.G.; Shumilova, M.A.; Zhirov, D.K.
• Journal of publication: Russian Journal of Coordination Chemistry
• Year of publication: 2017
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 864 - 873
• a: 9.7385 ± 0.0002 Å
• b: 10.2542 ± 0.0002 Å
• c: 21.6517 ± 0.0003 Å
• α: 90°
• β: 93.706 ± 0.001°
• γ: 90°
• Cell volume: 2157.63 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0294
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No