Crystallography Open Database

Information card for entry 4338995

Preview

Coordinates	4338995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 Cl5 N4 Ni Se2
Calculated formula	C25 H27 Cl5 N4 Ni Se2
SMILES	[Ni]1(Cl)(Cl)[n]2c([Se][Se]c3[n]1ccn3c1c(cc(cc1C)C)C)n(cc2)c1c(cc(cc1C)C)C.ClC(Cl)Cl
Title of publication	Applications of bis(1-R-imidazol-2-yl)disulfides and diselenides as ligands for main-group and transition metals: kappa2-(N,N) coordination, S-S bond cleavage, and S-S/E-E (E = S, Se) bond metathesis reactions.
Authors of publication	Figueroa, Joshua S.; Yurkerwich, Kevin; Melnick, Jonathan; Buccella, Daniela; Parkin, Gerard
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9234 - 9244
a	8.6691 ± 0.0008 Å
b	14.2662 ± 0.0015 Å
c	25.323 ± 0.003 Å
α	90°
β	96.84 ± 0.002°
γ	90°
Cell volume	3109.5 ± 0.6 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	6
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	0.1223
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179492 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/89.	4338995.cif
117053	2014-06-14	cif/ Adding structures of 4338995 via cif-deposit CGI script.	4338995.cif