Crystallography Open Database

Information card for entry 4080464

Preview

Coordinates	4080464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H40 N12 Ni2 O5
Calculated formula	C37 H40 N12 Ni2 O5
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	11.3453 ± 0.0016 Å
b	11.3453 ± 0.0016 Å
c	27.492 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3538.7 ± 1 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
178693 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/04.	4080464.cif
85933	2013-05-07	cif/ Adding structures of 4080461, 4080462, 4080463, 4080464, 4080465, 4080466, 4080467, 4080468, 4080469 via cif-deposit CGI script.	4080464.cif