Information card for entry 4318566

Structure parameters

• Formula: C32 H16 Cr I4 N8
• Calculated formula: C32 H16 Cr I4 N8
• SMILES: c1c2c3[n]4[Cr]56(I)(I)[n]7c(c8ccccc8c7=Nc7n6c(N=c4c2ccc1)c1c7cccc1)N=c1n5c(=N3)c2ccccc12.II
• Title of publication: One-Dimensional Assembling of Diiodo[phthalocyaninato(1-)] Chromate(III) Molecules through Neutral I2 Molecules. Alternating Ferro- and Antiferromagnetic Interactions in the Metal-Radical System
• Authors of publication: Jan Janczak; Ynara Marina Idemori
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5059 - 5065
• a: 7.851 ± 0.002 Å
• b: 8.402 ± 0.002 Å
• c: 12.668 ± 0.003 Å
• α: 80.32 ± 0.03°
• β: 74.06 ± 0.03°
• γ: 82.33 ± 0.03°
• Cell volume: 788.7 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.115
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No