Information card for entry 7110908

Structure parameters

• Common name: Co2DPX
• Formula: C79 H82 Co2 N8 O
• Calculated formula: C79 H82 Co2 N8 O
• SMILES: [Co]123[n]4c5C=c6n3c(=Cc3[n]1c(=C(c1n2c(C=c4c(c5CC)C)c(c1C)CC)c1c2Oc4c(C5=c7n8[Co]9%10[n]%11c5c(c(c%11=Cc5n9c(c(c5C)CC)C=c5[n]%10c(c(c5CC)C)C=c8c(c7C)CC)CC)C)cccc4C(c2ccc1)(C)C)c(c3CC)C)c(c6CC)C
• Title of publication: Electrocatalytic four-electron reduction of oxygen to water by a highly flexible cofacial cobalt bisporphyrin
• Authors of publication: Chang, Christopher J.; Deng, Yongqi; Nocera, Daniel G.; Shi, Chunnian; Anson, Fred C.; Chang, C. K.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 1355
• a: 24.131 ± 0.0005 Å
• b: 10.626 ± 0.0002 Å
• c: 50.2717 ± 0.0001 Å
• α: 90°
• β: 99.512 ± 0.001°
• γ: 90°
• Cell volume: 12713.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1554
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections: 0.2646
• Weighted residual factors for significantly intense reflections: 0.2003
• Goodness-of-fit parameter for all reflections: 1.224
• Goodness-of-fit parameter for significantly intense reflections: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No