Information card for entry 7008528

Structure parameters

• Formula: C47 H41 B N3 O3 Rh S3
• Calculated formula: C47 H41 B N3 O3 Rh S3
• SMILES: [Rh]12345([n]6c7S(=O)c8[n]2c(S(=O)c2[n]1c(S(=O)c6ccc7)ccc2)ccc8)[CH]1=[CH]3CC[CH]4=[CH]5CC1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Selective oxygenation of amphiphilic thiacalix[3]pyridine Rh(I) diene complexes in both water and organic solvents.
• Authors of publication: Nishioka, Takanori; Onishi, Yusuke; Nakajo, Kunio; Guo-Xin, Jin; Tanaka, Rika; Kinoshita, Isamu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 12
• Pages of publication: 2130 - 2137
• a: 14.101 ± 0.001 Å
• b: 17.712 ± 0.002 Å
• c: 16.082 ± 0.002 Å
• α: 90°
• β: 93.231 ± 0.002°
• γ: 90°
• Cell volume: 4010.2 ± 0.7 ų
• Cell temperature: 193.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No