Crystallography Open Database

Information card for entry 7058996

Preview

Coordinates	7058996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 Fe N6 S10
Calculated formula	C28 H16 Fe N6 S10
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	13.1578 ± 0.0005 Å
b	33.0511 ± 0.0013 Å
c	40.2845 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	17518.9 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
223417 (current)	2019-11-06	cif/ Adding structures of 7058993, 7058994, 7058995, 7058996, 7058997, 7058998, 7058999, 7059000, 7059001 via cif-deposit CGI script.	7058996.cif