Information card for entry 7003822

Structure parameters

• Formula: C66 H60 N6 Ni2 P4
• Calculated formula: C66 H60 N6 Ni2 P4
• SMILES: c1(ccccc1)[P]1(Nc2c(N3[Ni]41[Ni]1(N([P]4(c4ccccc4)c4ccccc4)c4c(N[P]1(c1ccccc1)c1ccccc1)cccc4)[P]3(c1ccccc1)c1ccccc1)cccc2)c1ccccc1.N#CCC.N#CCC
• Title of publication: Bis(phosphanylamino)benzene ligands: a zinc(ii) complex and an unusual nickel(i) complex with a Dewar-benzene-type Ni2P2N2 backbone
• Authors of publication: Majoumo-Mbé, F.; Kühl, O.; Lönnecke, P.; Silaghi-Dumitrescu, I.; Hey-Hawkins, E.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 23
• Pages of publication: 3107 - 3114
• a: 9.5087 ± 0.0009 Å
• b: 12.162 ± 0.0012 Å
• c: 13.8429 ± 0.0013 Å
• α: 101.889 ± 0.002°
• β: 100.363 ± 0.002°
• γ: 107.307 ± 0.002°
• Cell volume: 1444.9 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No