Information card for entry 7037104

Structure parameters

• Chemical name: bis{(S)-N-phenylethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}nickel(II)
• Formula: C38 H32 N2 Ni O2
• Calculated formula: C38 H32 N2 Ni O2
• SMILES: [Ni]12(Oc3c(c4ccccc4cc3)C=[N]1[C@H](c1ccccc1)C)[N](=Cc1c(O2)ccc2ccccc12)[C@@H](C)c1ccccc1
• Title of publication: Chirality at metal and helical ligand folding in optical isomers of chiral bis(naphthaldiminato)nickel(ii) complexes.
• Authors of publication: Enamullah, Mohammed; Quddus, Mohammad Abdul; Hasan, Mohammad Rezabul; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Janiak, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 667 - 680
• a: 9.5328 ± 0.0009 Å
• b: 15.297 ± 0.0016 Å
• c: 20.56 ± 0.002 Å
• α: 90°
• β: 90.192 ± 0.006°
• γ: 90°
• Cell volume: 2998.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No