Crystallography Open Database

Information card for entry 4080469

Preview

Coordinates	4080469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H27.5 N6 O3.25 Pd
Calculated formula	C29.5 H27.5 N6 O3.25 Pd
Title of publication	Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes
Authors of publication	Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	6
Pages of publication	1913
a	20.648 ± 0.004 Å
b	19.386 ± 0.004 Å
c	14.289 ± 0.003 Å
α	90°
β	112.84 ± 0.03°
γ	90°
Cell volume	5271 ± 2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0565
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4080469.cif
85933	2013-05-07	cif/ Adding structures of 4080461, 4080462, 4080463, 4080464, 4080465, 4080466, 4080467, 4080468, 4080469 via cif-deposit CGI script.	4080469.cif