Crystallography Open Database

Information card for entry 4084526

Preview

Coordinates	4084526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H43 B F4 Fe N O3 P3
Calculated formula	C24 H43 B F4 Fe N O3 P3
Title of publication	Activation of Dihydrogen and Silanes by Cationic Iron Bis(phosphinite) Pincer Complexes
Authors of publication	Bhattacharya, Papri; Krause, Jeanette A.; Guan, Hairong
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	21
Pages of publication	6113
a	17.939 ± 0.004 Å
b	11.161 ± 0.002 Å
c	16.404 ± 0.004 Å
α	90°
β	116.835 ± 0.003°
γ	90°
Cell volume	2930.7 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0755
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178734 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/45.	4084526.cif
127188	2014-11-12	cif/ Updating files of 4084526 Original log message: Adding full bibliography for 4084526.cif.	4084526.cif
125519	2014-10-17	cif/ Adding structures of 4084526 via cif-deposit CGI script.	4084526.cif