Information card for entry 7018143

Structure parameters

• Formula: C77 H75 Ir2 N11 O16 Zn
• Calculated formula: C77 H75 Ir2 N11 O16 Zn
• Title of publication: Synthesis, structure and oxygen-sensing properties of Iridium(iii)-containing coordination polymers with different cations.
• Authors of publication: Ho, Mei-Lin; Chen, Yi-An; Chen, Tsai-Chen; Chang, Pei-Jen; Yu, Yi-Ping; Cheng, Kum-Yi; Shih, Chien-Hung; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2592 - 2600
• a: 17.2485 ± 0.0002 Å
• b: 12.9889 ± 0.0002 Å
• c: 32.399 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7258.64 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No