Information card for entry 7042051

Structure parameters

• Formula: C27 H35 Br N2 Ni
• Calculated formula: C27 H35 Br N2 Ni
• SMILES: Br[Ni]1234([cH]5[c]1([cH]4[cH]3[cH]25)C(C)(C)CC=C)=C1N(C=CN1CCC=C)c1c(cc(cc1C)C)C
• Title of publication: Axially chiral racemic half-sandwich nickel(ii) complexes by ring-closing metathesis.
• Authors of publication: Buchowicz, Włodzimierz; Banach, Łukasz; Kamiński, Radosław; Buchalski, Piotr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 3805 - 3808
• a: 18.1581 ± 0.0005 Å
• b: 10.2051 ± 0.0004 Å
• c: 14.2066 ± 0.0007 Å
• α: 90°
• β: 94.406 ± 0.003°
• γ: 90°
• Cell volume: 2624.78 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for significantly intense reflections: 1.25
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No