Information card for entry 4500380

Structure parameters

• Formula: C48 H36 Mn N10 O10 S2
• Calculated formula: C48 H36 Mn N10 O10 S2
• SMILES: N(=C=S)[Mn]([n]1cc(ccc1)CC1C(=O)c2c(C1=O)cc1c(c2)C(=O)N(C1=O)Cc1cccnc1)([n]1cc(ccc1)CN1C(=O)c2c(C1=O)cc1c(c2)C(=O)N(C1=O)Cc1cccnc1)(N=C=S)([OH]C)[OH]C
• Title of publication: Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands
• Authors of publication: Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 2763
• a: 9.527 ± 0.0005 Å
• b: 11.2958 ± 0.0007 Å
• c: 12.2827 ± 0.0008 Å
• α: 64.411 ± 0.006°
• β: 84.523 ± 0.005°
• γ: 74.411 ± 0.005°
• Cell volume: 1147.98 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No