Information card for entry 7710214

Structure parameters

• Formula: C96 H98 F24 N6 O8 P4 Rh4
• Calculated formula: C96 H98 F24 N6 O8 P4 Rh4
• SMILES: [Rh]123456([O]=C7O[Rh]89%10%11([O]=C7O1)([n]1ccc(cc1)c1cc7cc%12c(ccc(c%13cc[n]([Rh]%14%15%16%17%18([O]=C%19O[Rh]%20%21%22%23([O]=C%19O%14)([n]%14ccc(c%19cc%24cc%25cc(c%26cc[n]2cc%26)ccc%25cc%24cc%19)cc%14)[c]2([c]%21([c]%22([c]%20([c]%232C)C)C)C)C)[c]2([c]%15([c]%16([c]%18([c]%172C)C)C)C)C)cc%13)c%12)cc7cc1)[c]1([c]9([c]%10([c]%11([c]81C)C)C)C)C)[c]1([c]5([c]3([c]4([c]61C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C.CC#N
• Title of publication: Supramolecular-controlled regioselective photochemical [4+4] cycloaddition within Cp*Rh-based metallarectangles
• Authors of publication: Bai, Sha; Wang, Li-Feng; Wu, Zhen-Wei; Feng, Ting; Han, Ying-Feng
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 24.277 ± 0.007 Å
• b: 22.228 ± 0.006 Å
• c: 41.74 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22524 ± 18 ų
• Cell temperature: 192 K
• Ambient diffraction temperature: 192 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No