Crystallography Open Database

Information card for entry 7700181

Preview

Coordinates	7700181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 Cl2 N6 P Pd
Calculated formula	C22 H19 Cl2 N6 P Pd
Title of publication	Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.
Authors of publication	Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	41
Pages of publication	15397 - 15407
a	14.818 ± 0.003 Å
b	9.271 ± 0.0019 Å
c	16.998 ± 0.003 Å
α	90°
β	100.95 ± 0.03°
γ	90°
Cell volume	2292.6 ± 0.8 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	6
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	0.0352
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
223900 (current)	2019-11-07	cif/ Updating files of 7700175, 7700176, 7700177, 7700178, 7700179, 7700180, 7700181, 7700182, 7700183, 7700184, 7700185 Original log message: Adding full bibliography for 7700175--7700185.cif.	7700181.cif
215725	2019-06-06	cif/ Adding structures of 7700175, 7700176, 7700177, 7700178, 7700179, 7700180, 7700181, 7700182, 7700183, 7700184, 7700185 via cif-deposit CGI script.	7700181.cif