Crystallography Open Database

Information card for entry 4331863

Preview

Coordinates	4331863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Co N2 O6 S
Calculated formula	C14 H18 Co N2 O6 S
Title of publication	Boxes, Helicates, and Coordination Polymers: A Structural and Magnetochemical Investigation of the Diverse Coordination Chemistry of Simple Pyridine-Alcohol Ligands
Authors of publication	Telfer, Shane G.; Kuroda, Reiko; Lefebvre, Julie; Leznoff, Daniel B.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	12
Pages of publication	4592 - 4601
a	8.4393 ± 0.0006 Å
b	8.5797 ± 0.0006 Å
c	12.0728 ± 0.0009 Å
α	81.842 ± 0.001°
β	84.06 ± 0.001°
γ	64.008 ± 0.001°
Cell volume	776.95 ± 0.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179421 (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 4/33/18.	4331863.cif
97943	2014-01-29	cif/ Adding structures of 4331860, 4331861, 4331862, 4331863, 4331864 via cif-deposit CGI script.	4331863.cif