Information card for entry 2234110

Structure parameters

• Chemical name: <i>cis</i>-Bis[(4-nitrophenyl)cyanamido-κ<i>N</i>^1^]bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')nickel(II) methanol monosolvate
• Formula: C39 H28 N10 Ni O5
• Calculated formula: C39 H28 N10 Ni O5
• SMILES: CO.O=N(=O)c1ccc(N=C=N[Ni]23([n]4c5c6[n]2cccc6ccc5ccc4)([n]2c4c5[n]3cccc5ccc4ccc2)N=C=Nc2ccc(cc2)N(=O)=O)cc1
• Title of publication: <i>cis</i>-Bis[(4-nitrophenyl)cyanamido-κ<i>N</i>^1^]bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) methanol monosolvate
• Authors of publication: Chiniforoshan, Hossein; Jazestani, Mehdi; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m417 - m418
• a: 10.019 ± 0.002 Å
• b: 11.307 ± 0.002 Å
• c: 16.403 ± 0.003 Å
• α: 103.54 ± 0.03°
• β: 92.96 ± 0.03°
• γ: 99.77 ± 0.03°
• Cell volume: 1772.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0951
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes