Information card for entry 2225359

Structure parameters

• Chemical name: Tetraaquabis{μ~2~-2,7-bis[(2,6-diisopropylphenyl)iminomethyl]naphthalene-1,8- diolato}di-μ~3~-hydroxido-di-μ~2~-hydroxido-bis(trimethylphosphine oxide)tetranickel(II)‒trimethylphosphine oxide‒diethyl ether‒water (1/2/2/2)
• Formula: C92 H152 N4 Ni4 O20 P4
• Calculated formula: C92 H136 N4 Ni4 O20 P4
• SMILES: [N]1(c2c(C(C)C)cccc2C(C)C)[Ni]23([OH2])([OH2])[OH]4[Ni]56([O]=P(C)(C)C)(Oc7c(ccc8ccc(c([O]26)c78)C=1)/C=N/c1c(cccc1C(C)C)C(C)C)[OH]1[Ni]24(Oc4c(ccc6ccc7c([O]2[Ni]1([N](=C7)c1c(cccc1C(C)C)C(C)C)([OH]5)([OH2])[OH2])c46)/C=N/c1c(cccc1C(C)C)C(C)C)([OH]3)[O]=P(C)(C)C.O=P(C)(C)C.C(C)OCC.O.O=P(C)(C)C.C(C)OCC.O
• Title of publication: Tetraaquabis{μ~2~-2,7-bis[(2,6-diisopropylphenyl)iminomethyl]naphthalene-1,8-diolato}di-μ~3~-hydroxido-di-μ~2~-hydroxido-bis(trimethylphosphine oxide)tetranickel(II)‒trimethylphosphine oxide‒diethyl ether‒water (1/2/2/2)
• Authors of publication: Delferro, Massimiliano; Weberski, Jr, Michael P.; Rodriguez, Brandon A.; Marks, Tobin J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m257
• a: 11.9818 ± 0.0002 Å
• b: 13.7937 ± 0.0002 Å
• c: 16.2215 ± 0.0003 Å
• α: 78.109 ± 0.001°
• β: 72.759 ± 0.001°
• γ: 83.782 ± 0.001°
• Cell volume: 2502.37 ± 0.07 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: 0.0706
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes