Information card for entry 4301282

Structure parameters

• Formula: C43 H36 Cl2 F6 Fe2 N4 O11 Rh2 S2
• Calculated formula: C43 H36 Cl2 F6 Fe2 N4 O11 Rh2 S2
• SMILES: [Rh]1234[n]5c(ccc6c5[n]([Rh]1([n]1c5[n]4c([c]47[cH]8[Fe]9%10%11%12%13%144([cH]4[cH]%13[cH]%14[cH]%10[cH]%124)[cH]([cH]89)[cH]7%11)ccc5ccc1)([O]=C(O2)C)(OC(=[O]3)C)[OH2])ccc6)[c]12[Fe]3456789([cH]1[cH]4[cH]5[cH]23)[cH]1[cH]6[cH]7[cH]9[cH]81.ClCCl.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Mixed-Metal Assemblies Involving Ferrocene-Naphthyridine Hybrids
• Authors of publication: Nabanita Sadhukhan; Jitendra K. Bera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 978 - 990
• a: 16.7544 ± 0.0013 Å
• b: 13.9924 ± 0.0011 Å
• c: 20.2439 ± 0.0015 Å
• α: 90°
• β: 100.666 ± 0.001°
• γ: 90°
• Cell volume: 4663.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.1021
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.2126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No