Crystallography Open Database

Information card for entry 7055786

Preview

Coordinates	7055786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H46 Cl4 N6 Pd
Calculated formula	C35 H46 Cl4 N6 Pd
SMILES	[Pd](=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)([n]1nnn(c1)c1ccccc1)(Cl)Cl.C(Cl)Cl
Title of publication	Mono- and dinuclear palladium(ii) complexes containing both N-heterocyclic carbenes and tetrazole ligands as catalysts for Hiyama coupling
Authors of publication	Yang, Jin
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	11
Pages of publication	9739
a	12.022 ± 0.009 Å
b	20.9 ± 0.016 Å
c	16.374 ± 0.012 Å
α	90°
β	103.443 ± 0.011°
γ	90°
Cell volume	4001 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.2582
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.2103
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
188255 (current)	2016-11-08	cif/ Updating files of 7055783, 7055784, 7055785, 7055786, 7055787, 7055788 Original log message: Adding full bibliography for 7055783--7055788.cif.	7055786.cif
186871	2016-10-01	cif/ Adding structures of 7055783, 7055784, 7055785, 7055786, 7055787, 7055788 via cif-deposit CGI script.	7055786.cif