Crystallography Open Database

Information card for entry 4088453

Preview

Coordinates	4088453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 Cl F0.5 Fe N2 Si
Calculated formula	C29 H31 Cl F0.5 Fe N2 Si
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	9.7299 ± 0.0012 Å
b	11.4681 ± 0.0014 Å
c	12.7531 ± 0.0015 Å
α	83.672 ± 0.003°
β	74.459 ± 0.003°
γ	85.048 ± 0.003°
Cell volume	1360.3 ± 0.3 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4088453.cif