Information card for entry 4331522

Structure parameters

• Formula: C68 H14 Cl6 F30 N6 Pd
• Calculated formula: C68 H14 Cl6 F30 N6 Pd
• SMILES: c12ccc3C(=c4ccc5=C(c6ccc7=C(c8c(cc([nH]8)C(=c8ccc(=C(c9ccc(C=1c1c(c(c(c(c1F)F)F)F)F)[nH]9)c1c(c(c(c(c1F)F)F)F)F)[nH]8)c1c(c(c(c(c1F)F)F)F)F)[Pd]([n]67)([n]23)n45)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 7.4793 ± 0.0008 Å
• b: 17.2353 ± 0.0018 Å
• c: 25.25 ± 0.003 Å
• α: 77.918 ± 0.002°
• β: 86.328 ± 0.002°
• γ: 86.77 ± 0.002°
• Cell volume: 3173.2 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1134
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.2434
• Weighted residual factors for all reflections included in the refinement: 0.2591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No