Information card for entry 2000567

Structure parameters

• Chemical name: tetrakis(μ-2-methyl-2-phenylpropanoato-O,O')di(quinoline)dinickel
• Formula: C58 H58 N2 Ni2 O8
• Calculated formula: C58 H58 N2 Ni2 O8
• SMILES: [n]1(cccc2c1cccc2)[Ni]1234[O]=C(C(C)(C)c5ccccc5)O[Ni]4([n]4cccc5ccccc45)([O]=C(O1)C(C)(C)c1ccccc1)(OC(=[O]3)C(C)(C)c1ccccc1)[O]=C(O2)C(C)(C)c1ccccc1
• Title of publication: Dimeric nickel(II) carboxylates and a silanecarboxylate: [Ni(Me~3~CCOO)~2~(2,5-lutidine)]~2~, [Ni(MePh~2~CCOO)~2~(quinoline)]~2~.2CHCl~3~, [Ni(Me~2~PhCCOO)~2~(quinoline)]~2~, [Ni(Me~3~CCOO)~2~(2-ethylpyridine)]~2~, [Ni(Me~3~CCOO)~2~(2-picoline)]~2~ and [Ni(MePh~2~SiCOO)~2~(Ph~3~P)]~2~
• Authors of publication: Morooka, M.; Ohba, S.; Nakashima, M.; Tokii, T.; Muto, Y.; Kato, M.; Steward, O. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 1888 - 1894
• a: 10.992 ± 0.001 Å
• b: 20.932 ± 0.001 Å
• c: 10.964 ± 0.001 Å
• α: 90°
• β: 90.587 ± 0.005°
• γ: 90°
• Cell volume: 2522.5 ± 0.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.026
• Goodness-of-fit parameter for significantly intense reflections: 1.726
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No