Information card for entry 2211415

Structure parameters

• Chemical name: Bis(guanidinium) hexahydroxooctadecaoxodisodiohexamolybdonickelate decahydrate
• Formula: C2 H38 Mo6 N6 Na2 Ni O34
• Calculated formula: C2 H38 Mo6 N6 Na2 Ni O34
• SMILES: C(=[NH2+])(N)N.[Na+].[Ni]12345[OH]6[Mo]78([OH]2[Mo]2(O7)([OH]3[Mo]3([OH]4[Mo]4([OH]5[Mo]5([OH]1[Mo]6(O8)(=O)(O5)=O)(=O)(O4)=O)(O3)(=O)=O)(=O)(O2)=O)(=O)=O)(=O)=O.O.O.O.O.O.O.C(=[NH2+])(N)N.[Na+].O.O.O.O
• Title of publication: Bis(guanidinium) hexahydroxooctadecaoxodisodiohexamolybdonickelate decahydrate
• Authors of publication: Bo Liu; Shi Zhou; Chuan-Bi Li; Hong-Gang Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3185 - m3187
• a: 25.2247 ± 0.0009 Å
• b: 11.6583 ± 0.0004 Å
• c: 13.7668 ± 0.0005 Å
• α: 90°
• β: 114.918 ± 0.004°
• γ: 90°
• Cell volume: 3671.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes