Crystallography Open Database

Information card for entry 1565462

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Coordinates	1565462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H31 Cl O P2 Pd S
Calculated formula	C18 H31 Cl O P2 Pd S
Title of publication	Novel and facile procedure for the synthesis of Ni(II) and Pd(II) PSCOP pincer complexes. Evaluation of their catalytic activity on C-S, C-Se and C-C cross coupling reactions
Authors of publication	Valderrama-García, Bianca X.; Rufino-Felipe, Ernesto; Valdés, Hugo; Hernandez-Ortega, Simón; Aguilar-Castillo, Bethsy Adriana; Morales-Morales, David
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	502
Pages of publication	119283
a	8.1369 ± 0.001 Å
b	10.8673 ± 0.0013 Å
c	13.3669 ± 0.0016 Å
α	99.505 ± 0.002°
β	99.254 ± 0.002°
γ	89.829 ± 0.002°
Cell volume	1150.2 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
270943 (current)	2021-11-30	cif/ Adding structures of 1565462, 1565463 via cif-deposit CGI script.	1565462.cif