Crystallography Open Database

Information card for entry 4109192

Preview

Coordinates	4109192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 N2 O10 Pd2
Calculated formula	C36 H48 N2 O10 Pd2
SMILES	c12cc(cc(c1C=N(=[O][Pd]12[O]=C(C)O[Pd]2(c3cc(cc(c3C=N(=[O]2)C(C)(C)C)OC)OC)[O]=C(O1)C)C(C)(C)C)OC)OC.c1ccccc1
Title of publication	Carbocyclic Carbene Ligands Derived from Aromatic Nitrones: Formation and Catalytic Activity of Their Pd(II) Complexes
Authors of publication	Qingwei Yao; Mark Zabawa; Joyce Woo; Chong Zheng
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3088 - 3089
a	13.1473 ± 0.0012 Å
b	14.4545 ± 0.0014 Å
c	20.3119 ± 0.0019 Å
α	90°
β	103.38 ± 0.002°
γ	90°
Cell volume	3755.3 ± 0.6 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	1.413
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
178837 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/91.	4109192.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109192.cif
57947	2012-05-23	cif/ Adding structures of 4109192 via cif-deposit CGI script.	4109192.cif