Information card for entry 4321668

Structure parameters

• Formula: C63 H51 Cl3 Co N4 O8
• Calculated formula: C63 H51 Cl3 Co N4 O8
• SMILES: [Co]123[n]4c5=C6c7n3c(C3=c8[n]2c(C2=c9n1c(=C(c4cc5)c1ccccc1OCCCOc1c(OCCCOc4c6cccc4)cc(OCCCOc4c3cccc4)c(OCCCOc3c2cccc3)c1)cc9)cc8)cc7.ClC(Cl)Cl
• Title of publication: Syntheses and Structural Characterization of the (OCnOPor) Capped Porphyrins: Co(OC2OPor).CH2Cl2, Co(OC2OPor)(NO)out.0.46CHCl3, Co(OC3OPor).CHCl3, and Co(OC3OPor)(MeIm).3C7H8
• Authors of publication: Paul G. Jene; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5796 - 5802
• a: 13.484 ± 0.003 Å
• b: 14.404 ± 0.003 Å
• c: 14.57 ± 0.003 Å
• α: 105.508 ± 0.003°
• β: 100.678 ± 0.003°
• γ: 93.509 ± 0.004°
• Cell volume: 2661.2 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1584
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No