Information card for entry 7001286

Structure parameters

• Formula: C76 H64 N12 Rh2
• Calculated formula: C76 H64 N12 Rh2
• SMILES: C1(c2ccc(cc2)N)=[N](c2ccccc2)[Rh]234[Rh](N1c1ccccc1)([N](=C(c1ccc(cc1)N)N2c1ccccc1)c1ccccc1)([N](=C(c1ccc(cc1)N)N3c1ccccc1)c1ccccc1)N(C(c1ccc(cc1)N)=[N]4c1ccccc1)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: 17.6228 ± 0.0009 Å
• b: 17.6228 ± 0.0009 Å
• c: 11.8846 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3690.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No