Information card for entry 2014045

Structure parameters

• Common name: Azido[1,1'- bis(diphenylphosphino)ferrocene](pentamethylcyclopentadienyl)rhodium(III) hexafluorophosphate
• Chemical name: Azido-2κN-bis[μ-(1η^5^:2κP)-diphenylphosphinocyclopentadienyl][2(η^5^)- pentamethylcyclopentadienyl]iron(III)rhodium(III) hexafluorophosphate
• Formula: C44 H43 F6 Fe N3 P3 Rh
• Calculated formula: C44 H43 F6 Fe N3 P3 Rh
• SMILES: [Rh]12345(N=N#N)([c]6(C)[c]2(C)[c]3(C)[c]4(C)[c]56C)[P](c2ccccc2)(c2ccccc2)[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[cH]2[cH]7[cH]8[cH]9[c]2%10[P]1(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Azido[1,1'-bis(diphenylphosphino)ferrocene](pentamethylcyclopentadienyl)rhodium(III) hexafluorophosphate
• Authors of publication: Han, Won Seok; Lee, Soon W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m189 - m190
• a: 14.759 ± 0.003 Å
• b: 17.829 ± 0.004 Å
• c: 15.736 ± 0.004 Å
• α: 90°
• β: 92.669 ± 0.012°
• γ: 90°
• Cell volume: 4136.3 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1448
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes