Information card for entry 7120976

Structure parameters

• Formula: C182 H84 Cr4 I2 Li2.04 N32 O10
• Calculated formula: C182 H84 Cr4 I2 Li2.04 N32 O10
• Title of publication: Phthalocyanine as a redox-active platform for organometallic chemistry.
• Authors of publication: Zhou, Wen; Leznoff, Daniel B.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 1829 - 1832
• a: 24.4994 ± 0.0014 Å
• b: 24.2314 ± 0.0016 Å
• c: 35.7646 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21232 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.4574
• Residual factor for significantly intense reflections: 0.2937
• Weighted residual factors for significantly intense reflections: 0.545
• Weighted residual factors for all reflections included in the refinement: 0.6296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.6
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No