Information card for entry 7015912

Structure parameters

• Formula: C104 H136 Ir4 N8 O30
• Calculated formula: C104 H136 Ir4 N6 O24
• Title of publication: Self-assembly of 1D mixed-metal tubular network with coordination bonds through the interconnection of organometallic metallamacrocycles by Ag(i) centers.
• Authors of publication: Wang, Guo-Liang; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 19
• Pages of publication: 5166 - 5169
• a: 18.202 ± 0.003 Å
• b: 18.202 ± 0.003 Å
• c: 45.641 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15121 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No