Crystallography Open Database

Information card for entry 7059000

Preview

Coordinates	7059000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H43 Cd2 Cl15 I4 N10 S16
Calculated formula	C61 H43 Cd2 Cl15 I4 N10 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	31.6596 ± 0.0013 Å
b	17.1527 ± 0.0006 Å
c	21.3471 ± 0.0009 Å
α	90°
β	126.101 ± 0.003°
γ	90°
Cell volume	9366.5 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1479
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	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.	7059000.cif