Information card for entry 7105837

Structure parameters

• Formula: C68 H88 Co N4 O5.5
• Calculated formula: C60 H72 Co N4 O3.5
• Title of publication: A Porphyrin-Related Macrocycle from Carbazole and Pyridine Building Blocks: Synthesis and Metal Coordination
• Authors of publication: Lena Arnold; Hassan Norouzi-Arasi; Manfred Wagner; Volker Enkelmann; Klaus Mullen
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 970
• a: 9.1483 ± 0.0004 Å
• b: 21.8882 ± 0.0009 Å
• c: 29.7527 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5957.7 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections: 0.2536
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9431
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No