Information card for entry 2001529

Structure parameters

• Formula: C54.5 H14 Br8 Cl6 F20 N4 O2.5 Zn
• Calculated formula: C64 Br8 Cl12 F20 N4 O2 Zn
• Title of publication: A highly solvated zinc(II) tetrakis(pentafluorophenyl)-β-octabromoporphyrin
• Authors of publication: Marsh, R. E.; Schaefer, W. P.; Hodge, J. A.; Hughes, M. E.; Gray, H. B.; Lyons, J. E.; Ellis, Jnr, P. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 1339 - 1342
• a: 12.053 ± 0.004 Å
• b: 18.453 ± 0.006 Å
• c: 29.259 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6508 ± 4 ų
• Cell temperature: 295 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.066
• Goodness-of-fit parameter for significantly intense reflections: 1.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No