Information card for entry 4307720

Structure parameters

• Formula: C71 H66 B22 Cl22 N4 Zn0.05
• Calculated formula: C71 H66 B22 Cl22 N4 Zn0.046
• 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: 14.512 ± 0.0015 Å
• b: 15.8141 ± 0.0017 Å
• c: 19.71 ± 0.002 Å
• α: 87.025 ± 0.002°
• β: 82.28 ± 0.002°
• γ: 87.631 ± 0.002°
• Cell volume: 4473.6 ± 0.8 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: 0.1106
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No