Crystallography Open Database

Information card for entry 7217824

Preview

Coordinates	7217824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 Cl N O Pd Se
Calculated formula	C23 H30 Cl N O Pd Se
SMILES	c1ccccc1[Se]1CC[N]2[Pd]1(Cl)Oc1c(C=2)cc(cc1C(C)(C)C)C(C)(C)C
Title of publication	Sterically hindered selenoether ligands: palladium(II) complexes as catalytic activators for Suzuki-Miyaura coupling
Authors of publication	Singh, Ajai kumar; Kumar, Umesh; Dubey, Pooja; Singh, Ved Vati; Prakash, Om
Journal of publication	RSC Advances
Year of publication	2014
a	10.9228 ± 0.0004 Å
b	10.0631 ± 0.0004 Å
c	43.0466 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	4731.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.302
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
180509 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/78.	7217824.cif
122598	2014-08-29	cif/ Adding structures of 7217823, 7217824 via cif-deposit CGI script.	7217824.cif