Information card for entry 7050352

Structure parameters

• Formula: C71 H64.5 N14.5 O9 Zn
• Calculated formula: C56 H52 N12 O4 Zn
• Title of publication: Complexes of hexamethylenetetramine with zinc-tetraarylporphyrins, and their assembly modes in crystals as clathrates and hydrogen-bonding network polymers
• Authors of publication: Israel Goldberg; Mikki Vinodu
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 18.789 ± 0.0003 Å
• b: 27.742 ± 0.0005 Å
• c: 12.473 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6501.5 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No