Information card for entry 4307719

Structure parameters

• Formula: C68 H60 B22 Cl22 N4 Zn0.08
• Calculated formula: C68 H60 B22 Cl22 N4 Zn0.074
• Title of publication: Do Sitting-Atop Metalloporphyrin Complexes Exist? Observation of N-H—π Bonding in Arene Solvates of a Diprotonated Porphyrin Dication
• Authors of publication: J. Luis Gárate-Morales; Fook S. Tham; Christopher A. Reed
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1514 - 1516
• a: 14.5131 ± 0.0012 Å
• b: 15.6384 ± 0.0013 Å
• c: 19.6042 ± 0.0016 Å
• α: 86.342 ± 0.001°
• β: 83.359 ± 0.001°
• γ: 88.183 ± 0.001°
• Cell volume: 4409.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1118
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No