Information card for entry 4309861

Structure parameters

• Formula: C250 H164 N26 O0.66 P2 Zn5
• Calculated formula: C250 H164 N26 O0.66 P2 Zn5
• Title of publication: Template-Assisted Ligand Encapsulation; the Impact of an Unusual Coordination Geometry on a Supramolecular Pyridylphosphine-Zn(II)porphyrin Assembly
• Authors of publication: Arjan W. Kleij; Mark Kuil; Duncan M. Tooke; Anthony L. Spek; Joost N. H. Reek
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7696 - 7698
• a: 11.5527 ± 0.0011 Å
• b: 19.064 ± 0.0013 Å
• c: 27.5589 ± 0.0011 Å
• α: 75.844 ± 0.005°
• β: 82.549 ± 0.008°
• γ: 82.366 ± 0.007°
• Cell volume: 5803.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No