Information card for entry 2205392

Structure parameters

• Chemical name: Bis(adamantylamine-κN)bis(1-phenylbutane-1,3-dionato-κO,O')nickel(II)
• Formula: C40 H52 N2 Ni O4
• Calculated formula: C40 H52 N2 Ni O4
• SMILES: [Ni]12([NH2]C34CC5CC(C3)CC(C4)C5)([NH2]C34CC5CC(C3)CC(C4)C5)(OC(=CC(c3ccccc3)=[O]1)C)OC(=CC(c1ccccc1)=[O]2)C
• Title of publication: Bis(adamantylamine-κ<i>N</i>)bis(1-phenylbutane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II)
• Authors of publication: Ernest Meštrović; Dejan-Krešimir Bučar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m522 - m524
• a: 6.738 ± 0.003 Å
• b: 12.028 ± 0.003 Å
• c: 12.063 ± 0.003 Å
• α: 70.02 ± 0.03°
• β: 86.88 ± 0.03°
• γ: 76.45 ± 0.03°
• Cell volume: 892.9 ± 0.5 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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: 0.055
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes