Information card for entry 4324189

Structure parameters

• Formula: C38 H70 B2 N12 Ni2 O8 P2
• Calculated formula: C38 H70 B2 N12 Ni2 O8 P2
• SMILES: [BH]12n3c(C)cc([n]3[Ni]3([n]4c(cc(C)n14)C)([n]1n2c(cc1C)C)[O]=P(O[Ni]12([n]4c(cc(C)n4[BH](n4c(cc([n]14)C)C)n1[n]2c(cc1C)C)C)[O]=P(O3)(OCC)OCC)(OCC)OCC)C
• Title of publication: Crystal Structures and Magnetic Properties of Nickel Complexes with Hydrotris(pyrazolyl)borate Ligand and Double Bridged by Phosphate Esters
• Authors of publication: Luisa López-Banet; M. Dolores Santana; Gabriel García; Luis García; José Pérez; Teófilo Rojo; Luis Lezama; Jean-Pierre Costes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 437 - 443
• a: 8.1475 ± 0.0006 Å
• b: 11.5772 ± 0.0009 Å
• c: 13.3096 ± 0.001 Å
• α: 90.643 ± 0.001°
• β: 100.928 ± 0.001°
• γ: 97.566 ± 0.001°
• Cell volume: 1221.09 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No