Information card for entry 7003820

Structure parameters

• Formula: C88 H104 N4 O7 P4 Zn2
• Calculated formula: C76 H80 N4 O4 P4 Zn2
• SMILES: [Zn]12([P](N3[Zn]([P](N2c2c(N1P(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1)(N(P(c1ccccc1)c1ccccc1)c1ccccc31)[O]1CCCC1)(c1ccccc1)c1ccccc1)[O]1CCCC1.O1CCCC1.O1CCCC1
• 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: 22.577 ± 0.002 Å
• b: 15.4672 ± 0.0017 Å
• c: 24.523 ± 0.003 Å
• α: 90°
• β: 105.566 ± 0.002°
• γ: 90°
• Cell volume: 8249.4 ± 1.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No