Crystallography Open Database

Information card for entry 7059001

Preview

Coordinates	7059001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H45 Cd2 Cl21 N12 O13 S16
Calculated formula	C61 H45 Cd2 Cl21 N12 O13 S16
Title of publication	Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities
Authors of publication	Bechu, Damien; Rogez, Guillaume; Hosseini, Mir Wais; Baudron, Stéphane A.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	36
Pages of publication	14291
a	17.5072 ± 0.0008 Å
b	18.2272 ± 0.0009 Å
c	19.2922 ± 0.0008 Å
α	70.432 ± 0.002°
β	63.379 ± 0.002°
γ	65.013 ± 0.002°
Cell volume	4907.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
223417 (current)	2019-11-06	cif/ Adding structures of 7058993, 7058994, 7058995, 7058996, 7058997, 7058998, 7058999, 7059000, 7059001 via cif-deposit CGI script.	7059001.cif