Information card for entry 7133747

Structure parameters

• Common name: PNC[Co-cbpm-Co-cCO]
• Chemical name: bis(carbonyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyrimidine unknown solvate
• Formula: C264.62 H286 Co2 N20 O16.62
• Calculated formula: C264.62 H286.997 Co2 N20 O16.62
• Title of publication: Ligand Effects on Gas Adsorption in Nanoporous Phthalocyanine Crystals
• Authors of publication: Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma; Allan, David Robert; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 37.9111 ± 0.0002 Å
• b: 37.9111 ± 0.0002 Å
• c: 37.9111 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 54487.8 ± 0.5 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.3374
• Weighted residual factors for all reflections included in the refinement: 0.3639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.454
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No