Crystallography Open Database

Information card for entry 4337761

Preview

Coordinates	4337761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H18 Co0.5 N O7 S
Calculated formula	C8 H18 Co0.5 N O7 S
Title of publication	A Supramolecular Double Sulfate Salt with a Lamellar Type: Crystal Structure and Thermal Behavior.
Authors of publication	Kammoun, Omar; Bataille, Thierry; Lucas, Anita; Dorcet, Vincent; Marlart, Isabelle; Rekik, Walid; Na\?ïli, Houcine; Mhiri, Tahar
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	5
Pages of publication	2619 - 2627
a	6.1876 ± 0.0002 Å
b	32.4166 ± 0.0011 Å
c	7.0025 ± 0.0002 Å
α	90°
β	108.353 ± 0.001°
γ	90°
Cell volume	1333.12 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0582
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.1775
Goodness-of-fit parameter for all reflections included in the refinement	1.204
Diffraction radiation probe	x-ray
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.	4337761.cif
107719	2014-03-22	cif/ Adding structures of 4337761, 4337762, 4337763, 4337764 via cif-deposit CGI script.	4337761.cif