Crystallography Open Database

Information card for entry 7701889

Preview

Coordinates	7701889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 B N6 O2 W
Calculated formula	C14 H17 B N6 O2 W
Title of publication	Relative hemilabilities of H<sub>2</sub>B(az)<sub>2</sub> (az = pyrazolyl, dimethylpyrazolyl, methimazolyl) chelates in the complexes [M(η-C<sub>3</sub>H<sub>5</sub>)(CO)<sub>2</sub>{H<sub>2</sub>B(az)<sub>2</sub>}] (M = Mo, W).
Authors of publication	Abernethy, Robyn J.; Foreman, Mark R St-J; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	3
Pages of publication	781 - 796
a	14.288 ± 0.01 Å
b	7.823 ± 0.01 Å
c	15.337 ± 0.01 Å
α	90°
β	101.241 ± 0.01°
γ	90°
Cell volume	1681 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0331
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0719
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
247752 (current)	2020-02-04	cif/ Updating files of 7701888, 7701889, 7701890, 7701891, 7701892 Original log message: Adding full bibliography for 7701888--7701892.cif.	7701889.cif
227686	2019-11-13	cif/ Adding structures of 7701888, 7701889, 7701890, 7701891, 7701892 via cif-deposit CGI script.	7701889.cif