Information card for entry 7212277

Structure parameters

• Formula: C90 H104 Co4 N20 O24
• Calculated formula: C90 H104 Co4 N20 O24
• SMILES: c1c2ccc[n]1[Co]1(ON(=[O]1)=O)([n]1cccc(c3cc(c([N]4=C(c5[n]6c(C(=[N](c7c(cc(c8c[n](ccc8)[Co]8([n]9cccc(c%10cc(c([N]%11=C(c%12[n]%13c(C(=[N](c%14c(cc2cc%14C(C)C)C(C)C)[Co]2%11%13([N]#CC)ON(=[O]2)=O)C)ccc%12)C)c(c%10)C(C)C)C(C)C)c9)(ON(=[O]8)=O)(ON(=O)=O)ON(=O)=O)cc7C(C)C)C(C)C)[Co]246([N]#CC)ON(=[O]2)=O)C)ccc5)C)c(c3)C(C)C)C(C)C)c1)(ON(=O)=O)ON(=O)=O
• Title of publication: Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand
• Authors of publication: Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2755
• a: 13.3784 ± 0.0013 Å
• b: 24.485 ± 0.002 Å
• c: 18.8723 ± 0.0018 Å
• α: 90°
• β: 100.633 ± 0.002°
• γ: 90°
• Cell volume: 6075.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1141
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No