Information card for entry 2004604

Structure parameters

• Common name: Nickel(II)-bis-[(d,l)-dicampholylmethanat]
• Chemical name: Nickel(II)-bis[1-((+)-(1'R,3'S)-1',2',2',3'-tetramethyl-cyclopent-1'yl)- 3-((-)-(1'S,3'R)-1',2',2',3'-tetramethyl-cyclopent-1'yl)-propan-1,3- dionate]
• Formula: C42 H70 Ni O4
• Calculated formula: C42 H70 Ni O4
• SMILES: C1(=CC(=[O][Ni]2(O1)OC(=CC(=[O]2)[C@]1(C([C@H](CC1)C)(C)C)C)[C@@]1(C([C@@H](CC1)C)(C)C)C)[C@@]1(C(C)(C)[C@@H](CC1)C)C)[C@]1(C(C)([C@H](CC1)C)C)C
• Title of publication: Nickel(II) Bis(<i>d</i>-campholyl-<i>l</i>-campholylmethanate)
• Authors of publication: Ficker, R.; Hiller, W.; Ossig, A.; Schurig, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 543 - 545
• a: 7.3319 ± 0.0008 Å
• b: 12.3885 ± 0.0009 Å
• c: 12.8313 ± 0.0009 Å
• α: 114.805 ± 0.009°
• β: 98.699 ± 0.009°
• γ: 100.923 ± 0.009°
• Cell volume: 1003.38 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections: 0.1204
• Weighted residual factors for significantly intense reflections: 0.1163
• Goodness-of-fit parameter for all reflections: 1.119
• Goodness-of-fit parameter for significantly intense reflections: 1.126
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No