Information card for entry 4331523

Structure parameters

• Formula: C76 H12 Cl6 F29 N6 O0 Pd2
• Calculated formula: C76 H12 Cl6 F29 N6 Pd2
• Title of publication: Group 10 Metal Complexes ofmeso-Aryl-Substituted [26]Hexaphyrins with a Metal−Carbon Bond
• Authors of publication: Mori, Shigeki; Shimizu, Soji; Taniguchi, Ryuichiro; Osuka, Atsuhiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4127 - 4129
• a: 13.838 ± 0.007 Å
• b: 14.394 ± 0.008 Å
• c: 18.255 ± 0.01 Å
• α: 99.1 ± 0.05°
• β: 90.36 ± 0.04°
• γ: 104.4 ± 0.05°
• Cell volume: 3474 ± 3 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: 0.1113
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.2706
• Weighted residual factors for all reflections included in the refinement: 0.2846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No