Information card for entry 7001285

Structure parameters

• Formula: C128 H96 N12 Rh2
• Calculated formula: C128 H96 N12 Rh2
• SMILES: [Rh]1234[Rh]([N](=C(N1c1ccccc1)c1ccc(N=C(c5ccccc5)c5ccccc5)cc1)c1ccccc1)(N(C(=[N]2c1ccccc1)c1ccc(N=C(c2ccccc2)c2ccccc2)cc1)c1ccccc1)([N](=C(N3c1ccccc1)c1ccc(N=C(c2ccccc2)c2ccccc2)cc1)c1ccccc1)N(C(=[N]4c1ccccc1)c1ccc(N=C(c2ccccc2)c2ccccc2)cc1)c1ccccc1
• Title of publication: A divergent strategy for covalently-tethered (tpy)2Ru(ii) systems based on Rh2(N,N′-diphenylbenzamidinates)4
• Authors of publication: Cooke, Michael W.; Santoni, Marie-Pierre; Hanan, Garry S.; Proust, Anna; Hasenknopf, Bernold
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3671 - 3673
• a: 18.8013 ± 0.0003 Å
• b: 30.6803 ± 0.0006 Å
• c: 18.4655 ± 0.0003 Å
• α: 90°
• β: 91.898 ± 0.001°
• γ: 90°
• Cell volume: 10645.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No