Information card for entry 7133752

Structure parameters

• Common name: PNC[Co-cbpm-Co-cNO]
• Chemical name: bis(nitrosyl(2,3,9,10,16,17,23,24- octakis(2',6'-di-isopropylphenoxy)phthalocyaninato)-cobalt) 4,4'-bipyrimidine unknown solvate
• Formula: C264 H286 Co2 N22 O18
• Calculated formula: C264 H288 Co2 N22 O18
• Title of publication: Ligand effects on gas adsorption in nanoporous phthalocyanine crystals.
• Authors of publication: Stamos, Nikolaos-Angelos; McMonagle, Charles J.; Turner, Gemma F.; Allan, David R.; Warren, Mark R.; Warren, Anna J.; McKeown, Neil B.; Moggach, Stephen A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 81
• Pages of publication: 11508 - 11511
• a: 37.9112 ± 0.0002 Å
• b: 37.9112 ± 0.0002 Å
• c: 37.9112 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 54488.2 ± 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: 0.129
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.3206
• Weighted residual factors for all reflections included in the refinement: 0.3487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.391
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No