Information card for entry 2231802

Structure parameters

• Chemical name: Aqua(dicyanamido-κ<i>N</i>^1^)(2,9-dimethyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')(nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)– 2,9-dimethyl-1,10-phenanthroline–water (2/1/2)
• Formula: C46 H44 Co2 N14 O10
• Calculated formula: C46 H44 Co2 N14 O10
• SMILES: c1(ccc2ccc3ccc([n]4c3c2[n]1[Co]14(N=C=NC#N)(ON(=[O]1)=O)[OH2])C)C.n1c(ccc2ccc3ccc(nc3c12)C)C.O.c1(ccc2ccc3ccc([n]4c3c2[n]1[Co]14(N=C=NC#N)(ON(=O)=[O]1)[OH2])C)C.O
• Title of publication: Aqua(dicyanamido-κ<i>N</i>^1^)(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(nitrato-κ^2^<i>O</i>,<i>O</i>')cobalt(II)–2,9-dimethyl-1,10-phenanthroline–water (2/1/2)
• Authors of publication: Cui, Feng-Hua; Zhao, Pei-Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1341 - m1342
• a: 17.993 ± 0.006 Å
• b: 11.77 ± 0.004 Å
• c: 23.428 ± 0.007 Å
• α: 90°
• β: 106.981 ± 0.004°
• γ: 90°
• Cell volume: 4745 ± 3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.1049
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes