Information card for entry 7101749

Structure parameters

• Formula: C15 H33 Br2 Ni O2 P2
• Calculated formula: C15 H33 Br2 Ni O2 P2
• SMILES: [Ni]12(Br)(Br)[P](OCC2CO[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: New pincer-type diphosphinito (POCOP) complexes of NiII and NiIII.
• Authors of publication: Pandarus, Valerica; Zargarian, Davit
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 9
• Pages of publication: 978 - 980
• a: 34.4889 ± 0.0008 Å
• b: 7.0423 ± 0.0002 Å
• c: 22.1302 ± 0.0005 Å
• α: 90°
• β: 127.664 ± 0.001°
• γ: 90°
• Cell volume: 4254.9 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No