Information card for entry 7133746

Structure parameters

• Common name: PNC[Co-cbpm-Co]
• Chemical name: bis((2,3,9,10,16,17,23,24-octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyrimidine unknown solvate
• Formula: C264 H286 Co2 N20 O16
• Calculated formula: C264 H284 Co2 N20 O16
• 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: 37.7457 ± 0.0003 Å
• b: 37.7457 ± 0.0003 Å
• c: 37.7457 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 53777.7 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1655
• Residual factor for significantly intense reflections: 0.1283
• Weighted residual factors for significantly intense reflections: 0.3295
• Weighted residual factors for all reflections included in the refinement: 0.359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No