Crystallography Open Database

Information card for entry 7219434

7219433 << 7219434 >> 7219435

Preview

Coordinates	7219434.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Coordination Polymer
Formula	C48 H44 Cu2 N8 O13 S2
Calculated formula	C48 H36 Cu2 N8 O9 S2
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	16.724 ± 0.003 Å
b	15.975 ± 0.003 Å
c	18.456 ± 0.004 Å
α	90°
β	91.46 ± 0.03°
γ	90°
Cell volume	4929.2 ± 1.7 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1611
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1926
Weighted residual factors for all reflections included in the refinement	0.228
Goodness-of-fit parameter for all reflections included in the refinement	0.871
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.	7219434.cif
133179	2015-03-06	cif/ Updating files of 7219431, 7219432, 7219433, 7219434 Original log message: Adding full bibliography for 7219431--7219434.cif.	7219434.cif
130217	2015-01-30	cif/ Adding structures of 7219431, 7219432, 7219433, 7219434 via cif-deposit CGI script.	7219434.cif