Crystallography Open Database

Information card for entry 4507222

Preview

Coordinates	4507222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 Co N2 O6 S
Calculated formula	C22 H18 Co N2 O6 S
Title of publication	Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies
Authors of publication	Bisht, Kamal Kumar; Suresh, Eringathodi
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	2
Pages of publication	664
a	11.2894 ± 0.0016 Å
b	11.4307 ± 0.0016 Å
c	12.8725 ± 0.0018 Å
α	98.167 ± 0.003°
β	95.654 ± 0.003°
γ	109.315 ± 0.002°
Cell volume	1532.8 ± 0.4 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	0.0601
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1791
Weighted residual factors for all reflections included in the refinement	0.1881
Goodness-of-fit parameter for all reflections included in the refinement	1.131
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
179608 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/72.	4507222.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507222.cif
73855	2013-02-21	cif/ Adding structures of 4507219, 4507220, 4507221, 4507222 via cif-deposit CGI script.	4507222.cif