Crystallography Open Database

Information card for entry 4075434

Preview

Coordinates	4075434.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	kjc0410
Formula	C54 H62 N4 Ni2 O9
Calculated formula	C54 H62 N4 Ni2 O9
Title of publication	Zerovalent N-Heterocyclic Carbene Complexes of Palladium and Nickel Dimethyl Fumarate: Synthesis, Structure, and Dynamic Behavior
Authors of publication	Clement, Nicolas D.; Cavell, Kingsley J.; Ooi, Li-ling
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	17
Pages of publication	4155
a	10.7764 ± 0.0001 Å
b	16.4619 ± 0.0002 Å
c	29.9743 ± 0.0003 Å
α	90°
β	90.571 ± 0.001°
γ	90°
Cell volume	5317.18 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
178643 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/54.	4075434.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075434.cif
49238	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075431, 4075432, 4075433, 4075434 via cif-deposit CGI script.	4075434.cif