Information card for entry 2219938

Structure parameters

• Chemical name: (2,9-Diethoxy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-\ κ<i>N</i>)cobalt(II)
• Formula: C18 H16 Co N4 O2 S2
• Calculated formula: C18 H16 Co N4 O2 S2
• SMILES: [Co]1([n]2c(OCC)ccc3ccc4ccc(OCC)[n]1c4c23)(N=C=S)N=C=S
• Title of publication: (2,9-Diethoxy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)cobalt(II)
• Authors of publication: Zheng, Xian-Fu; Su, Hui; Zhou, Zhan-Fang; Kou, Chun-Hong; Niu, Cao-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1484
• a: 8.7072 ± 0.0016 Å
• b: 15.625 ± 0.003 Å
• c: 14.828 ± 0.003 Å
• α: 90°
• β: 95.082 ± 0.003°
• γ: 90°
• Cell volume: 2009.4 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.2247
• Weighted residual factors for all reflections included in the refinement: 0.2393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes