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Information card for entry 1540672
Preview
Coordinates | 1540672.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H39 Fe3 O5 P W |
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Calculated formula | C41 H39 Fe3 O5 P W |
SMILES | [W]([P](CC[c]12[cH]3[Fe]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[cH]2[cH]8[cH]39)(CC[c]12[Fe]3456789([cH]%10[cH]6[cH]5[cH]4[cH]3%10)[cH]1[cH]7[cH]8[cH]29)CC[c]12[cH]3[Fe]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[cH]3[cH]8[cH]29)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Group 6 metal pentacarbonyl complexes of air-stable primary, secondary, and tertiary ferrocenylethylphosphines. |
Authors of publication | Rabiee Kenaree, Amir; Sauvé, Ethan R; Ragogna, Paul J.; Gilroy, Joe B. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 7 |
Pages of publication | 2859 - 2867 |
a | 20.307 ± 0.006 Å |
b | 15.287 ± 0.005 Å |
c | 25.101 ± 0.007 Å |
α | 90° |
β | 104.391 ± 0.013° |
γ | 90° |
Cell volume | 7548 ± 4 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 6 |
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 | 0.067 |
Residual factor for significantly intense reflections | 0.0381 |
Weighted residual factors for significantly intense reflections | 0.0688 |
Weighted residual factors for all reflections included in the refinement | 0.0757 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
177772 (current) | 2016-03-05 | cif/ Updating files of 1540668, 1540669, 1540670, 1540671, 1540672 Original log message: Adding full bibliography for 1540668--1540672.cif. |
1540672.cif |
171387 | 2015-12-10 | cif/ Adding structures of 1540668, 1540669, 1540670, 1540671, 1540672 via cif-deposit CGI script. |
1540672.cif |
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Users of the data should acknowledge the original authors of the
structural data.