Crystallography Open Database

Information card for entry 4030915

Preview

Coordinates	4030915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Cu N4 O7 S2
Calculated formula	C24 H20 Cu N4 O7 S2
SMILES	[Cu](N1S(=O)(=O)c2ccccc2C1=O)(N1S(=O)(=O)c2ccccc2C1=O)([n]1ccccc1)([n]1ccccc1)[OH2]
Title of publication	Structural study of monoaquabis(pyridine)bis(saccharinato)copper(II), [Cu(H~2~O)(py)~2~(sac)~2~]
Authors of publication	Jovanovski, G.; Naumov, P.; Grupče, O.; Kaitner, B.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1998
Journal volume	35
Journal issue	3
Pages of publication	231 - 242
a	9.4874 ± 0.0007 Å
b	21.545 ± 0.001 Å
c	13.164 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2690.8 ± 0.3 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.036
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
182188 (current)	2016-04-18	cif/4/03/ (antanas@kurmis) Updating bibliography for entries 4030911-4030916.	4030915.cif
178488	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/09.	4030915.cif
134653	2015-04-03	cif/ Adding structures of 4030915 via cif-deposit CGI script.	4030915.cif