Information card for entry 7104974

Structure parameters

• Formula: C74.5 H82.5 Cl15.5 F12 Ir4 N12 O8 P2
• Calculated formula: C74.5 H78.5 Cl15.5 F12 Ir4 N12 O8.001 P2
• Title of publication: A tetranuclear iridium(iii) complex with a flavin analogue as a bridging ligand in different coordination modes and exchangeable anion encapsulation in a supramolecular cage.
• Authors of publication: Kojima, Takahiko; Inui, Yuji; Miyazaki, Soushi; Shiro, Motoo; Fukuzumi, Shunichi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 6643 - 6645
• a: 31.4226 ± 0.0007 Å
• b: 24.4702 ± 0.0005 Å
• c: 34.0543 ± 0.0008 Å
• α: 90°
• β: 122.694 ± 0.0007°
• γ: 90°
• Cell volume: 22036.3 ± 0.8 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.2292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No