Crystallography Open Database

Information card for entry 4348946

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Coordinates	4348946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H234 Br6 N12 O21 Pd3
Calculated formula	C144 H228 Br6 N12 O21 Pd3
Title of publication	Bis(N-substituted oxamate)palladate(ii) complexes as effective catalysts for sustainable Heck carbon‒carbon coupling reactions in n-Bu4NBr as the solvent
Authors of publication	Fortea-Pérez, Francisco Ramón; Rothenpieler, Berit L.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Stiriba, Salah-Eddine
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	11
Pages of publication	1029
a	13.524 ± 0.002 Å
b	16.287 ± 0.003 Å
c	20.967 ± 0.003 Å
α	100.901 ± 0.008°
β	103.304 ± 0.008°
γ	99.809 ± 0.008°
Cell volume	4301.3 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1243
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.2121
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
233503 (current)	2019-11-23	cif/ Adding structures of 4348946, 4348947 via cif-deposit CGI script.	4348946.cif