Information card for entry 7110776

Structure parameters

• Formula: C65 H68 N13 Ni2.5 O41.5 P W12
• Calculated formula: C65 H52 N13 Ni2.5 O41.5 P W12
• Title of publication: Keggin unit supported transition metal complexes: hydrothermal synthesis and characterization of [Ni(2,2′-bipy)3]1.5[PW12O40Ni(2,2′-bipy)2(H2O)]·0.5H2O and [Co(1,10′-phen)3]1.5[PMo12O40Co(1,10′-phen)2(H2O)]·0.5H2O
• Authors of publication: Xu, Yan; Zhang, Kou-Lin; Zhang, Yong; You, Xiao-Zeng; Xu, Ji-Qing
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 153
• a: 46.768 ± 0.009 Å
• b: 14.34 ± 0.003 Å
• c: 25.945 ± 0.005 Å
• α: 90°
• β: 90.21 ± 0.03°
• γ: 90°
• Cell volume: 17400 ± 6 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: 0.1067
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections: 0.1984
• Weighted residual factors for significantly intense reflections: 0.1827
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No