Information card for entry 7035962

Structure parameters

• Chemical name: 1,1?-Bis(4-(phospholanoselenide)butyl)ferrocene
• Formula: C26 H40 Fe P2 Se2
• Calculated formula: C26 H40 Fe P2 Se2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]8[cH]72)CCCCP1(CCCC1)=[Se])CCCCP1(CCCC1)=[Se]
• Title of publication: Heterobimetallic complexes with highly flexible 1,1'-bis(phospholanoalkyl)ferrocene ligands.
• Authors of publication: Schmied, Andy; Straube, Axel; Grell, Toni; Jähnigen, Sascha; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18760 - 18768
• a: 7.958 ± 0.005 Å
• b: 10.195 ± 0.005 Å
• c: 32.986 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.871 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2673 ± 2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No