Information card for entry 7004046

Structure parameters

• Formula: C16 H35 Cl5 Ni O2 P2
• Calculated formula: C16 H35 Cl5 Ni O2 P2
• SMILES: [Ni]1(Cl)(Cl)[P](OCCCO[P]1(C(C)C)C(C)C)(C(C)C)C(C)C.ClC(Cl)Cl
• Title of publication: Ni(ii) complexes featuring non-metallated pincer-type ligands
• Authors of publication: Pandarus, Valerica; Castonguay, Annie; Zargarian, Davit
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 35
• Pages of publication: 4756 - 4761
• a: 9.1194 ± 0.0001 Å
• b: 9.1531 ± 0.0001 Å
• c: 15.4973 ± 0.0002 Å
• α: 84.015 ± 0.001°
• β: 89.825 ± 0.001°
• γ: 78.503 ± 0.001°
• Cell volume: 1260.5 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No