Crystallography Open Database

Information card for entry 4342889

Preview

Coordinates	4342889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 Cl3 Cr F6 N2 O6 P
Calculated formula	C38 H36 Cl3 Cr F6 N2 O6 P
Title of publication	Mono- and bimetallic zwitterionic chromium(0) and tungsten(0) allenyls.
Authors of publication	Giner, Elena A.; Santiago, Alicia; Gómez-Gallego, Mar; Ramírez de Arellano, Carmen; Poulten, Rebecca C.; Whittlesey, Michael K.; Sierra, Miguel A.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	11
Pages of publication	5450 - 5461
a	11.9124 ± 0.0003 Å
b	16.7703 ± 0.0004 Å
c	22.7908 ± 0.001 Å
α	76.84 ± 0.003°
β	80.306 ± 0.003°
γ	71.624 ± 0.002°
Cell volume	4184.3 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1498
Residual factor for significantly intense reflections	0
Weighted residual factors for significantly intense reflections	0.2272
Weighted residual factors for all reflections included in the refinement	0.2562
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
138136 (current)	2015-06-05	cif/ Updating files of 4342889 Original log message: Adding full bibliography for 4342889.cif.	4342889.cif
136723	2015-05-18	cif/ Adding structures of 4342889 via cif-deposit CGI script.	4342889.cif