Information card for entry 7120978

Structure parameters

• Formula: C34 H21 Cr N8
• Calculated formula: C34 H21 Cr N8
• SMILES: [Cr]123(n4c5=Nc6[n]3c(=Nc3n2c(N=c2[n]1c(N=c4c1c5cccc1)c1ccccc21)c1ccccc31)c1ccccc61)CC
• 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: 15.768 ± 0.002 Å
• b: 8.5743 ± 0.0013 Å
• c: 19.542 ± 0.003 Å
• α: 90°
• β: 93.19 ± 0.011°
• γ: 90°
• Cell volume: 2638 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No