Crystallography Open Database

Information card for entry 7207119

7207118 << 7207119 >> 7207120

Preview

Coordinates	7207119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Cu N2 O4 S2
Calculated formula	C18 H12 Cu N2 O4 S2
Title of publication	In situ syntheses, crystal structures and magnetic properties of CuII and MnII coordination assemblies based on a novel heteroalicyclic dicarboxylate tecton and N-donor co-ligands
Authors of publication	Liu, Chun-Sen; Guo, Wei; Carolina Sañudo, E.; Chen, Min; Hu, Min; Du, Miao; Fang, Shao-Ming
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	1
Pages of publication	160
a	7.9092 ± 0.0005 Å
b	11.2366 ± 0.0006 Å
c	19.2416 ± 0.001 Å
α	90°
β	95.413 ± 0.006°
γ	90°
Cell volume	1702.42 ± 0.17 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.0553
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180402 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/71.	7207119.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207119.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7207119.cif
32483	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 7207119, 7207120, 7207121, 7207122, 7207123 via cif-deposit CGI script.	7207119.cif