Information card for entry 2205713

Structure parameters

• Chemical name: Tris(1,10-phenanthroline)nickel(II) hexamolybdate
• Formula: C36 H24 Mo6 N6 Ni O19
• Calculated formula: C36 H24 Mo6 N6 Ni O19
• SMILES: c1cc2ccc3ccc[n]4[Ni]56([n](c2c34)c1)([n]1cccc2c1c1c(ccc[n]51)cc2)[n]1cccc2ccc3ccc[n]6c3c12.O1[Mo]234(O[Mo]567([O]89%102[Mo]21(O5)(O[Mo]19(O[Mo]8(O[Mo]%10(O3)(O1)(O6)=O)(O2)(O7)=O)(O4)=O)=O)=O)=O
• Title of publication: Tris(1,10-phenanthroline)nickel(II) hexamolybdate
• Authors of publication: Wenju Wang; Lin Xu; Guanggang Gao; Yongge Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m813 - m815
• a: 19.0062 ± 0.0018 Å
• b: 11.2552 ± 0.0011 Å
• c: 20.457 ± 0.002 Å
• α: 90°
• β: 102.273 ± 0.002°
• γ: 90°
• Cell volume: 4276.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes