Information card for entry 7050350

Structure parameters

• Formula: C49 H40.5 N12.5 O2 Zn
• Calculated formula: C49 H38 N12.5 O2 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: 9.188 ± 0.0008 Å
• b: 11.936 ± 0.0006 Å
• c: 20.407 ± 0.0015 Å
• α: 89.07 ± 0.0018°
• β: 79.492 ± 0.003°
• γ: 71.746 ± 0.006°
• Cell volume: 2087.7 ± 0.3 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: 0.09
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No