Crystallography Open Database

Information card for entry 8106378

Preview

Coordinates	8106378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H33 Cl2 N3 O Pd
Calculated formula	C25 H33 Cl2 N3 O Pd
SMILES	[Pd](Cl)(Cl)([NH]1CCOCC1)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	The crystal structure of dichlorido(1,3-dimesityl-1H-3λ4-imidazol-2-yl)(morpholine-κN)palladium(IV), C25H33Cl2N3OPd
Authors of publication	Yang, Jian
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	6
Pages of publication	1005 - 1006
a	10.2439 ± 0.0009 Å
b	11.4323 ± 0.0009 Å
c	11.9773 ± 0.0011 Å
α	93.043 ± 0.003°
β	94.892 ± 0.003°
γ	114.364 ± 0.002°
Cell volume	1267.07 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0229
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0518
Weighted residual factors for all reflections included in the refinement	0.0528
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
279853 (current)	2022-12-13	cif/ Adding structures of 8106378 via cif-deposit CGI script.	8106378.cif