Information card for entry 7102711

Structure parameters

• Formula: C80 H72 B0 Co4 F0 N24 O8
• Calculated formula: C80 H72 Co4 N24 O8
• SMILES: [Co]12345[n]6c(c[n]7[Co]89%10(N(C(=O)c7c6)CCc6[n]8cccc6)[n]6c(c[n]7[Co]8%11%12(N(C(=O)c7c6)CCc6[n]8cccc6)[n]6c(c[n]7[Co]8%13%14(N(C(=O)c7c6)CCc6[n]8cccc6)[n]6c(c[n]3c(c6)C(=O)N4CCc3[n]5cccc3)C(=O)N%13CCc3[n]%14cccc3)C(=O)N%11CCc3[n]%12cccc3)C(=O)N9CCc3[n]%10cccc3)C(=O)N1CCc1[n]2cccc1
• Title of publication: Control of molecular architecture by use of the appropriate ligand isomer: a mononuclear "corner-type" versus a tetranuclear [2 x 2] grid-type cobalt(III) complex.
• Authors of publication: Hausmann, Julia; Brooker, Sally
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 13
• Pages of publication: 1530 - 1531
• a: 19.3906 ± 0.0019 Å
• b: 19.6881 ± 0.0019 Å
• c: 35.419 ± 0.003 Å
• α: 90°
• β: 91.916 ± 0.002°
• γ: 90°
• Cell volume: 13514 ± 2 ų
• Cell temperature: 164 ± 2 K
• Ambient diffraction temperature: 164 ± 2 K
• Number of distinct elements: 7
• 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: 0.118
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No