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Information card for entry 7035962
Preview
Coordinates | 7035962.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,1?-Bis(4-(phospholanoselenide)butyl)ferrocene |
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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 Å3 |
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 |
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