Crystallography Open Database

Information card for entry 7126926

Preview

Coordinates	7126926.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dibromocarbonyl{hydrotris(3,5-dimethylpyrazol-1-yl)borato)tungsten(III)
Formula	C16 H22 B Br2 N6 O W
Calculated formula	C16 H22 B Br2 N6 O W
Title of publication	Synthesis and characterisation of fifteen-electron dihalo(carbonyl)tungsten(iii) complexes, Tp*WX<sub>2</sub>(CO) (X = Br, I).
Authors of publication	Thomas, Simon; Gable, Robert W.; Young, Charles G.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	71
Pages of publication	10349 - 10352
a	8.123 ± 0.002 Å
b	14.145 ± 0.002 Å
c	18.726 ± 0.002 Å
α	90°
β	100.18 ± 0.02°
γ	90°
Cell volume	2117.7 ± 0.7 Å³
Cell temperature	293 ± 1 K
Ambient diffraction temperature	293 ± 1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1699
Weighted residual factors for all reflections included in the refinement	0.1826
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
255979 (current)	2020-09-06	cif/ Updating files of 7126926, 7126927 Original log message: Adding full bibliography for 7126926--7126927.cif.	7126926.cif
254362	2020-07-17	cif/ Adding structures of 7126926, 7126927 via cif-deposit CGI script.	7126926.cif