Crystallography Open Database

Information card for entry 7219381

7219380 << 7219381 >> 7219382

Preview

Coordinates	7219381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H79 Co O2 P4
Calculated formula	C59 H79 Co O2 P4
SMILES	[Co]12([P](Oc3c(C2c2c(O[P]1(c1ccccc1)c1ccccc1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc3C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1)([P](C)(C)C)[P](C)(C)C
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	12.4365 ± 0.0016 Å
b	13.4615 ± 0.0019 Å
c	19.727 ± 0.003 Å
α	94.511 ± 0.003°
β	104.832 ± 0.002°
γ	91.585 ± 0.003°
Cell volume	3178.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	0.852
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.	7219381.cif
130092	2015-01-24	cif/ Adding structures of 7219380, 7219381, 7219382, 7219383 via cif-deposit CGI script.	7219381.cif