Crystallography Open Database

Information card for entry 4331600

Preview

Coordinates	4331600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 F6 N4 O6 P2 S2
Calculated formula	C40 H34 F6 N4 O6 P2 S2
Title of publication	P(CH)P Pincer Rhodium(I) Complexes: The Key Role of Electron-Poor Imidazoliophosphine Extremities
Authors of publication	Cécile Barthes; Christine Lepetit; Yves Canac; Carine Duhayon; Davit Zargarian; Remi Chauvin
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	48 - 58
a	15.633 ± 0.003 Å
b	22.942 ± 0.005 Å
c	14.911 ± 0.003 Å
α	90°
β	116.15 ± 0.03°
γ	90°
Cell volume	4800 ± 2 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1414
Residual factor for significantly intense reflections	0.1191
Weighted residual factors for all reflections	0.122
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.0681
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
179419 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/16.	4331600.cif
97734	2014-01-29	cif/ Adding structures of 4331600 via cif-deposit CGI script.	4331600.cif