Crystallography Open Database

Information card for entry 7701888

Preview

Coordinates	7701888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 B Cl2 Mo N4 O2 S2
Calculated formula	C14 H19 B Cl2 Mo N4 O2 S2
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	7.5475 ± 0.0001 Å
b	18.8361 ± 0.0002 Å
c	14.6355 ± 0.0002 Å
α	90°
β	101.684 ± 0.0005°
γ	90°
Cell volume	2037.55 ± 0.04 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for all reflections included in the refinement	0.0368
Goodness-of-fit parameter for all reflections included in the refinement	0.9712
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.	7701888.cif
227686	2019-11-13	cif/ Adding structures of 7701888, 7701889, 7701890, 7701891, 7701892 via cif-deposit CGI script.	7701888.cif