Crystallography Open Database

Information card for entry 4088455

Preview

Coordinates	4088455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H43 Na O3 Si
Calculated formula	C28 H43 Na O3 Si
SMILES	[C-](c1ccccc1)(c1ccccc1)[Si](C)(C)C.[O]1(CCCC1)[Na]([O]1CCCC1)[O]1CCCC1
Title of publication	A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron
Authors of publication	Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	1643
a	9.2148 ± 0.0008 Å
b	16.837 ± 0.0014 Å
c	17.8782 ± 0.0015 Å
α	90°
β	90.231 ± 0.002°
γ	90°
Cell volume	2773.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1581
Weighted residual factors for all reflections included in the refinement	0.1689
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237585 (current)	2019-11-24	cif/ Adding structures of 4088449, 4088450, 4088451, 4088452, 4088453, 4088454, 4088455, 4088456 via cif-deposit CGI script.	4088455.cif