Crystallography Open Database

Information card for entry 1565729

Preview

Coordinates	1565729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H40 Cl12 I2 N4 Pd
Calculated formula	C38 H40 Cl12 I2 N4 Pd
Title of publication	A comparison between (a/n-NHC)PdX2(pyridine) and (a/n-NHC)2PdX2 (X = I, Cl) type complexes of abnormal fused-bicyclic imidazo[1,2-a]pyridine based N-heterocyclic carbene (a-NHC) and of normal imidazole based N-heterocyclic carbene (n-NHC) ligands in the Suzuki-Miyaura coupling reactions
Authors of publication	Modak, Sudipta; Borah, Suchibrata; Prakasham, A.P.; Shaikh, Mobin M.; Butcher, Raymond J.; Gangwar, Manoj; Ghosh, Prasenjit
Journal of publication	Inorganica Chimica Acta
Year of publication	2019
Journal volume	498
Pages of publication	119090
a	11.5941 ± 0.0002 Å
b	20.2789 ± 0.0004 Å
c	22.1269 ± 0.0004 Å
α	76.924 ± 0.002°
β	89.181 ± 0.001°
γ	86.862 ± 0.001°
Cell volume	5059.88 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1004
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.157
Weighted residual factors for all reflections included in the refinement	0.1688
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
271384 (current)	2021-12-14	cif/ Adding structures of 1565728, 1565729, 1565730, 1565731 via cif-deposit CGI script.	1565729.cif