Information card for entry 4301343

Structure parameters

• Formula: C78 H97 Cl6 N6 O3 Pt Zn
• Calculated formula: C78 H97 Cl6 N6 O3 Pt Zn
• Title of publication: Double Cleavage of sp2 C-H and sp3 C-H Bonds on One Metal Center: DMF-Appended Cyclometalated Platinum(II) and -(IV) Porphyrins
• Authors of publication: Shigeru Yamaguchi; Hiroshi Shinokubo; Atsuhiro Osuka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 795 - 797
• a: 11.446 ± 0.004 Å
• b: 14.031 ± 0.004 Å
• c: 25.134 ± 0.006 Å
• α: 82.391 ± 0.009°
• β: 81.968 ± 0.011°
• γ: 78.623 ± 0.012°
• Cell volume: 3895 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No