Crystallography Open Database

Information card for entry 4321418

Preview

Coordinates	4321418.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.5 H35 Cd Cl2 N3 O10.5 S2
Calculated formula	C18.57 H33 Cd Cl2 N3 O10.57 S2
Title of publication	Amide Alcoholysis in Mononuclear Zinc and Cadmium Complexes Ligated by Thioether Sulfur and Nitrogen Donors
Authors of publication	Lisa M. Berreau; Magdalena M. Makowska-Grzyska; Atta M. Arif
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	4390 - 4391
a	8.9286 ± 0.0002 Å
b	12.9441 ± 0.0003 Å
c	13.1357 ± 0.0003 Å
α	91.6753 ± 0.0014°
β	104.379°
γ	97.957 ± 0.0014°
Cell volume	1453.21 ± 0.06 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4321418.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321418.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321418.cif
18788	2011-05-04	../uploads/cif-deposit/cod/cif Adding structures of 4321418 via cif-deposit CGI script.	4321418.cif