Information card for entry 7018040

Structure parameters

• Formula: C27 H33 Cl2 Co N2 O4
• Calculated formula: C27 H33 Cl2 Co N2 O4
• SMILES: [Co]1234([N]([C@@H]5[C@@H]([N]1=Cc1c(O3)c(cc(c1)C)C)CCCC5)=Cc1c(O2)c(cc(c1)C)C)[O]=C(O4)C.C(Cl)Cl.[Co]1234([N]([C@H]5[C@H]([N]1=Cc1c(O3)c(cc(c1)C)C)CCCC5)=Cc1c(O2)c(cc(c1)C)C)[O]=C(O4)C.C(Cl)Cl
• Title of publication: Unusual coordination mode of tetradentate Schiff base cobalt(iii) complexes.
• Authors of publication: Cyriac, Anish; Jeon, Jong Yeob; Varghese, Jobi Kodiyan; Park, Ji Hae; Choi, Soo Young; Chung, Young Keun; Lee, Bun Yeoul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1444 - 1447
• a: 11.0257 ± 0.0004 Å
• b: 12.2862 ± 0.0004 Å
• c: 12.3223 ± 0.0004 Å
• α: 82.506 ± 0.002°
• β: 65.358 ± 0.002°
• γ: 66.712 ± 0.002°
• Cell volume: 1392.42 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0796
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No