Crystallography Open Database

Information card for entry 7219382

7219381 << 7219382 >> 7219383

Preview

Coordinates	7219382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H70 Fe I O2 P3
Calculated formula	C56 H70 Fe I O2 P3
Title of publication	Synthesis of [POCOP]-Pincer Iron and Cobalt Complexes via Csp3-H Activation and Catalytic Application of Iron Hydride in Hydrosilylation Reactions
Authors of publication	huang, shaofeng; zhao, hua; Li, Xiaoyan; wang, lin; Sun, Hongjian
Journal of publication	RSC Adv.
Year of publication	2015
a	16.196 ± 0.003 Å
b	12.997 ± 0.003 Å
c	30.608 ± 0.006 Å
α	90°
β	97.19 ± 0.03°
γ	90°
Cell volume	6392 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1927
Residual factor for significantly intense reflections	0.0847
Weighted residual factors for significantly intense reflections	0.2272
Weighted residual factors for all reflections included in the refinement	0.3013
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219382.cif
130092	2015-01-24	cif/ Adding structures of 7219380, 7219381, 7219382, 7219383 via cif-deposit CGI script.	7219382.cif