Information card for entry 7050351

Structure parameters

• Formula: C78 H72 N12 O12 Zn
• Calculated formula: C60 H52 N12 O8 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: 10.36 ± 0.0004 Å
• b: 11.498 ± 0.0006 Å
• c: 15.361 ± 0.0008 Å
• α: 76.002 ± 0.002°
• β: 89.056 ± 0.003°
• γ: 82.936 ± 0.003°
• Cell volume: 1761.81 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No