Information card for entry 4316673

Structure parameters

• Formula: C155 H113 Cu2 Ir4 N17 O10
• Calculated formula: C155 H111 Cu2 Ir4 N17 O10
• SMILES: [Cu]1234([Cu]([O]=C(c5ccc(C6=c7[n]([Ir]89([n]%10ccccc%10c%10ccccc8%10)([n]8ccccc8c8ccccc98)n8c6ccc8)ccc7)cc5)O1)(OC(c1ccc(C5=c6[n]([Ir]78([n]9ccccc9c9ccccc79)([n]7ccccc7c7ccccc87)n7c5ccc7)ccc6)cc1)=[O]2)([O]=C(c1ccc(C2=c5[n]([Ir]67([n]8c(cccc8)c8ccccc68)([n]6ccccc6c6ccccc76)n6c2ccc6)ccc5)cc1)O3)(OC(c1ccc(C2=c3[n]([Ir]56([n]7ccccc7c7ccccc57)([n]5ccccc5c5ccccc65)n5c2ccc5)ccc3)cc1)=[O]4)[O]=CN(C)C)[OH2]
• Title of publication: Carboxylic Acid Appended Dipyrrin for the Formation of a Hexanuclear Iridium/Copper Paddlewheel Complex
• Authors of publication: Catherine Bronner; Stéphane A. Baudron; Mir Wais Hosseini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8659 - 8661
• a: 18.9483 ± 0.0004 Å
• b: 20.7016 ± 0.0005 Å
• c: 22.6138 ± 0.0005 Å
• α: 65.753 ± 0.001°
• β: 77.496 ± 0.001°
• γ: 75.616 ± 0.001°
• Cell volume: 7768.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1108
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No