Information card for entry 4331073

Structure parameters

• Formula: C64 H89 B N7 Ni2 O2 P S2
• Calculated formula: C64 H89 B N7 Ni2 O2 P S2
• Title of publication: Stabilization of Hypophosphite in the Binding Pocket of a Dinuclear Macrocyclic Complex: Synthesis, Structure, and Properties of [Ni2L(μ-O2PH2)]BPh4 (L = N6S2 Donor Ligand)
• Authors of publication: Jochen Lach; Alexander Jeremies; Vasile Lozan; Claudia Loose; Torsten Hahn; Jens Kortus; Berthold Kersting
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12380 - 12388
• a: 13.179 ± 0.003 Å
• b: 15.736 ± 0.003 Å
• c: 16.799 ± 0.003 Å
• α: 108.48 ± 0.03°
• β: 91.9 ± 0.03°
• γ: 107.61 ± 0.03°
• Cell volume: 3117.1 ± 1.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No