Crystallography Open Database

Information card for entry 7219431

7219430 << 7219431 >> 7219432

Preview

Coordinates	7219431.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Coordination polymer
Formula	C14 H14 Cu N4 O4 S
Calculated formula	C14 H14 Cu N4 O4 S
Title of publication	Coordination polymers based on copper carboxylates and angular 2,5-bis(imidazol-1-yl)thiophene (thim2) ligand: sequential structural transformations
Authors of publication	Singh, Namita; Vishnoi, Pratap; Anantharaman, Ganapathi
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	10
Pages of publication	2153
a	9.671 ± 0.002 Å
b	16.721 ± 0.003 Å
c	9.76 ± 0.002 Å
α	90°
β	94.855 ± 0.004°
γ	90°
Cell volume	1572.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0854
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1625
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7219431.cif
133179	2015-03-06	cif/ Updating files of 7219431, 7219432, 7219433, 7219434 Original log message: Adding full bibliography for 7219431--7219434.cif.	7219431.cif
130217	2015-01-30	cif/ Adding structures of 7219431, 7219432, 7219433, 7219434 via cif-deposit CGI script.	7219431.cif