Information card for entry 7104975

Structure parameters

• Formula: C73.5 H77.5 Cl14.5 Ir4 N12 O14
• Calculated formula: C73.5 H77.5 Cl14.5 Ir4 N12 O14
• 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: 27.1659 ± 0.0009 Å
• b: 27.1659 ± 0.0009 Å
• c: 60.5418 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 44679 ± 2 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.3517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.346
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No