Information card for entry 2214509

Structure parameters

• Chemical name: Poly[tetra-μ~2-aqua-diaqua-μ~2~-chlorido-di-μ~2~-oxo-dioxo[μ~7~-N,N,N',N'- (propane-1,2-diyldinitrilo)tetraacetato]dimolybdenum(V)trisodium(I)]
• Formula: C11 H26 Cl Mo2 N2 Na3 O18
• Calculated formula: C11 H26 Cl Mo2 N2 Na3 O18
• SMILES: [Mo]12345([Mo]67([N](C(C[N]1(CC(=O)O2)CC(=O)O3)C)(CC(=O)O6)CC(=O)O7)(O4)(O5)=O)=O.[Cl-].O.O.O.O.O.O.[Na+].[Na+].[Na+]
• Title of publication: Poly[tetra-μ~2~-aqua-diaqua-μ~2~-chlorido-di-μ~2~-oxo-dioxo[μ~7~-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-(propane-1,2-diyldinitrilo)tetraacetato]dimolybdenum(V)trisodium(I)]
• Authors of publication: Zhen-Hua Dang; Jun Zhao; Yong-Jing Wang; Ya-Zhen Ye; Li Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2106 - m2106
• a: 9.419 ± 0.003 Å
• b: 10.443 ± 0.003 Å
• c: 25.409 ± 0.009 Å
• α: 90°
• β: 97.262 ± 0.005°
• γ: 90°
• Cell volume: 2479.2 ± 1.4 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes