Information card for entry 4500878

Structure parameters

• Formula: C26 H18 Mn N4 O2 S2
• Calculated formula: C26 H18 Mn N4 O2 S2
• SMILES: c1cc2C(c3ccccc3)=[O][Mn]3(N=C=S)([n]2cc1)([n]1ccccc1C(c1ccccc1)=[O]3)N=C=S
• Title of publication: Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine
• Authors of publication: Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 3198
• a: 13.7528 ± 0.0011 Å
• b: 10.7643 ± 0.0009 Å
• c: 18.0328 ± 0.0014 Å
• α: 90°
• β: 109.034 ± 0.001°
• γ: 90°
• Cell volume: 2523.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0338
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No