Information card for entry 7202984

Structure parameters

• Formula: C29 H36 Mn N2 O12
• Calculated formula: C29 H36 Mn N2 O12
• SMILES: [Mn]([O]=CN(C)C)([O]=CN(C)C)([OH2])([OH2])([OH2])[OH2].Oc1c(C(=O)[O-])cc2ccccc2c1Cc1c(O)c(C(=O)[O-])cc2ccccc12
• Title of publication: Interplay of coordinative and supramolecular interactions in engineering unusual crystalline architectures of low-dimensional metal‒pamoate complexes under co-ligand intervention
• Authors of publication: Du, Miao; Li, Cheng-Peng; Zhao, Xiao-Jun; Yu, Qian
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1011
• a: 9.087 ± 0.002 Å
• b: 13.014 ± 0.003 Å
• c: 13.168 ± 0.003 Å
• α: 87.749 ± 0.003°
• β: 89.854 ± 0.003°
• γ: 80.647 ± 0.003°
• Cell volume: 1535.3 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No