Information card for entry 2218463

Structure parameters

• Chemical name: Bis(2-dimethylamino-1,10-phenanthroline-κ^2^N,N')bis(thiocyanato- κN)nickel(II) methanol disolvate
• Formula: C32 H34 N8 Ni O2 S2
• Calculated formula: C32 H34 N8 Ni O2 S2
• SMILES: c1[n]2c3c(cc1)ccc1c3[n]([Ni]32(N=C=S)([n]2cccc4c2c2c(cc4)ccc([n]32)N(C)C)N=C=S)c(N(C)C)cc1.OC.OC
• Title of publication: Bis(2-dimethylamino-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)nickel(II) methanol disolvate
• Authors of publication: Zhang, Shi Guo; Hu, Tai Qiu; Li, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m769
• a: 19.573 ± 0.003 Å
• b: 11.452 ± 0.003 Å
• c: 16.338 ± 0.003 Å
• α: 90°
• β: 117.693 ± 0.004°
• γ: 90°
• Cell volume: 3242.7 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes