Information card for entry 7116040

Structure parameters

• Formula: C16 H20 N4 Ni2 O4
• Calculated formula: C16 H20 N4 Ni2 O4
• SMILES: c12cc3c(cc1=[NH][Ni]1(OC(=CC(=[O]1)C)C)N2)N[Ni]1([NH]=3)OC(=CC(=[O]1)C)C
• Title of publication: Extendable nickel complex tapes that reach NIR absorptions
• Authors of publication: Hassib Audi; Zhongrui Chen; Azzam Charaf-Eddin; Anthony D'Aleo; Gabriel Canard; Denis Jacquemin; Olivier Siri
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15140
• a: 11.0898 ± 0.0002 Å
• b: 12.8028 ± 0.0002 Å
• c: 14.4904 ± 0.0002 Å
• α: 90°
• β: 120.131 ± 0.001°
• γ: 90°
• Cell volume: 1779.36 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0589
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No