Information card for entry 7110989

Structure parameters

• Formula: C78 H98 Cl4 F12 Ir4 N8 O14 S4
• Calculated formula: C78 H92 Cl4 F12 Ir4 N8 O14 S4
• Title of publication: Molecular architecture via coordination: quasi-octahedral macrocycles of rhodium and iridium bearing a pentamethylcyclopentadienyl group
• Authors of publication: Suzuki, Hajime; Yamamoto, Yasuhiro; Tajima, Nobuo; Tatsumi, Kazuyuki
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 1801
• a: 13.1339 ± 0.0009 Å
• b: 16.203 ± 0.001 Å
• c: 26.309 ± 0.002 Å
• α: 73.953 ± 0.002°
• β: 87.9327 ± 0.0007°
• γ: 81.7369 ± 0.0006°
• Cell volume: 5324.7 ± 0.6 ų
• Cell temperature: 183.2 K
• Ambient diffraction temperature: 183.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0858
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 2.197
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No