Information card for entry 2234446

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine- 3,7-dicarboxylato] monohydrate]
• Formula: C15 H17 Co N O8 S
• Calculated formula: C15 H17 Co N O8 S
• SMILES: [Co]1([O]=C(c2cc3c(cc2)N(c2c(cc(C(=O)[O-])cc2)S3)C)O1)([OH2])([OH2])([OH2])OC(=O)c1cc2c(cc1)N(c1c(cc(C3=[O][Co](O3)([OH2])([OH2])[OH2])cc1)S2)C.O.O
• Title of publication: <i>catena</i>-Poly[[[triaquacobalt(II)]-μ-10-methylphenothiazine-3,7-dicarboxylato] monohydrate]
• Authors of publication: Hu, Yun-Xia; Zhou, Yan; Wang, Fang-Ming; Zhang, Wen-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m402 - m403
• a: 15.3105 ± 0.0008 Å
• b: 7.2983 ± 0.0004 Å
• c: 29.5679 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3303.9 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes