Information card for entry 7033889

Structure parameters

• Formula: C80 H116 Cl6 Co2 N2 O26 P8 Re2 Rh2
• Calculated formula: C80 H116 Cl6 Co2 N2 O26 P8 Re2 Rh2
• SMILES: N(=[Re]12(O[P](OCC)(OCC)[Co]3456([P](OCC)(OCC)O1)([P](OCC)(O2)OCC)[cH]1[cH]3[cH]4[cH]5[cH]61)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl)[Rh]1234[O]=C(C)O[Rh]4([O]=C(C)O1)(N=[Re]14(O[P](OCC)(OCC)[Co]5678([cH]9[cH]5[cH]6[cH]7[cH]89)([P](OCC)(OCC)O1)[P](OCC)(OCC)O4)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl)([O]=C(C)O2)OC(C)=[O]3.C(Cl)Cl.C(Cl)Cl
• Title of publication: Heterobimetallic rhenium nitrido complexes containing the Kläui tripodal ligand [Co(η(5)-C5H5){P(O)(OEt)2}3](.).
• Authors of publication: So, Yat-Ming; Chiu, Wai-Hang; Cheung, Wai-Man; Ng, Ho-Yuen; Lee, Hung Kay; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5479 - 5487
• a: 12.4445 ± 0.0009 Å
• b: 12.5644 ± 0.0008 Å
• c: 17.9581 ± 0.0011 Å
• α: 81.475 ± 0.005°
• β: 86.215 ± 0.005°
• γ: 64.836 ± 0.007°
• Cell volume: 2513.3 ± 0.3 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No