Crystallography Open Database

Information card for entry 4085545

Preview

Coordinates	4085545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 O5 P2 W2
Calculated formula	C36 H42 O5 P2 W2
Title of publication	Reactions of the Unsaturated Ditungsten Anion [W2Cp2(μ-PCy2)(μ-CO)2]−with C- and P-Based Electrophiles
Authors of publication	Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	5
Pages of publication	870
a	19.7028 ± 0.0009 Å
b	17.3517 ± 0.0009 Å
c	20.8432 ± 0.0012 Å
α	90°
β	107.364 ± 0.003°
γ	90°
Cell volume	6801.1 ± 0.6 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.064
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
178744 (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 4/08/55.	4085545.cif
134869	2015-04-04	cif/ Updating files of 4085545 Original log message: Adding full bibliography for 4085545.cif.	4085545.cif
132110	2015-02-20	cif/ Adding structures of 4085545 via cif-deposit CGI script.	4085545.cif