Information card for entry 4319660

Structure parameters

• Formula: C144 H182 I2 N12 Rh2
• Calculated formula: C144 H182 I2 N12 Rh2
• SMILES: C1=c2n3c(=C(c4c(c(c5=Cc6n7c(c(c6CCCCCC)C)C(=c6[n]([Rh]37(I)([n]45)[N]#Cc3cnc(cc3)c3ncc(C#[N][Rh]457(I)[n]8c9C=c%10n7c(=C(c7[n]5c(=Cc5c(c(c(C(=c8c(c9CCCCCC)C)c8ccccc8)n45)C)CCCCCC)c(c7C)CCCCCC)c4ccccc4)c(c%10CCCCCC)C)cc3)c1c(c6C)CCCCCC)c1ccccc1)CCCCCC)C)c1ccccc1)c(c2CCCCCC)C.C1CCCCC1.C1CCCCC1
• Title of publication: Rh(III) Porphyrins as Building Blocks for Porphyrin Coordination Arrays: From Dimers to Heterometallic Undecamers
• Authors of publication: James E. Redman; Neil Feeder; Simon J. Teat; Jeremy K. M. Sanders
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2486 - 2499
• a: 14.4222 ± 0.001 Å
• b: 14.6677 ± 0.001 Å
• c: 16.5079 ± 0.0011 Å
• α: 93.492 ± 0.002°
• β: 110.978 ± 0.002°
• γ: 93.249 ± 0.002°
• Cell volume: 3243 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.6923 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No