Information card for entry 8102684

Structure parameters

• Chemical name: biaqua(1,10-phenanthroline) (N-tosyl-alaninato)(formate)cobalt(II), Co(C~12~H~8~N~2~)(C~10~H~12~O~4~NS)(CHO~2~)(H~2~O)~2~
• Formula: C23 H25 Co N3 O8 S
• Calculated formula: C23 H25 Co N3 O8 S
• SMILES: [Co]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)C(C)NS(=O)(=O)c1ccc(cc1)C)(OC=O)([OH2])[OH2]
• Title of publication: Crystal structure of diaqua(1,10-phenanthroline)-(N-tosylalaninato)-(formato)cobalt(II), Co(H2O)2(C12H8N2)(C10H12O4NS)(CHO2)
• Authors of publication: Chun-Hua Zhang; Xiong-Wen Tan; Jin-Sheng Xu; Dai-Zhi Kuang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 321
• a: 23.944 ± 0.002 Å
• b: 9.9292 ± 0.0011 Å
• c: 10.8029 ± 0.0011 Å
• α: 90°
• β: 92.75 ± 0.002°
• γ: 90°
• Cell volume: 2565.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No