Crystallography Open Database

Information card for entry 7700746

Preview

Coordinates	7700746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 B Cl F4 N6 O Pd
Calculated formula	C15 H15 B Cl F4 N6 O Pd
Title of publication	Synthesis and redox chemistry of Pd(ii) complexes of a pincer verdazyl ligand.
Authors of publication	Sanz, Corey A.; Patrick, Brian O.; Hicks, Robin G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	33
Pages of publication	12674 - 12683
a	8.6741 ± 0.0004 Å
b	15.7852 ± 0.0008 Å
c	14.5177 ± 0.0007 Å
α	90°
β	100.721 ± 0.003°
γ	90°
Cell volume	1953.1 ± 0.16 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
223988 (current)	2019-11-07	cif/ Updating files of 7700743, 7700744, 7700745, 7700746 Original log message: Adding full bibliography for 7700743--7700746.cif.	7700746.cif
217446	2019-08-07	cif/ Adding structures of 7700743, 7700744, 7700745, 7700746 via cif-deposit CGI script.	7700746.cif