Crystallography Open Database

Information card for entry 4343533

Preview

Coordinates	4343533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H35 Cl3 O3 P Re
Calculated formula	C32 H35 Cl3 O3 P Re
Title of publication	Rhenium Complex with Noninnocent Dioxolene Ligand: Combined Experimental and ab Initio Study of [(3,5-di-tert-Bu2C6H2O2)ReCl3(OPPh3)].
Authors of publication	Abramov, Pavel A.; Gritsan, Nina P.; Suturina, Elizaveta A.; Bogomyakov, Artem S.; Sokolov, Maxim N.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	14
Pages of publication	6727 - 6735
a	9.506 ± 0.0003 Å
b	17.3013 ± 0.0007 Å
c	19.4327 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3196 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
152832 (current)	2015-08-05	cif/ Updating files of 4343533, 4343534 Original log message: Adding full bibliography for 4343533--4343534.cif.	4343533.cif
139919	2015-07-03	cif/ Adding structures of 4343533, 4343534 via cif-deposit CGI script.	4343533.cif