Crystallography Open Database

Information card for entry 7705343

Preview

Coordinates	7705343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 Cu N2 O5 S2
Calculated formula	C22 H19 Cu N2 O5 S2
Title of publication	Dynamic porous coordination polymers built-up from flexible 4,4'-dithiodibenzoate and rigid N-based ligands.
Authors of publication	Jarrah, Najmeh; Troyano, Javier; Carné-Sánchez, Arnau; Imaz, Inhar; Tangestaninejad, Shahram; Moghadam, Majid; Maspoch, Daniel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	37
Pages of publication	13142 - 13151
a	24.3747 ± 0.0007 Å
b	13.9313 ± 0.0003 Å
c	18.9465 ± 0.0007 Å
α	90°
β	111.435 ± 0.004°
γ	90°
Cell volume	5988.7 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
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	0.0747
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
257502 (current)	2020-10-06	cif/ Updating files of 7705341, 7705342, 7705343, 7705344 Original log message: Adding full bibliography for 7705341--7705344.cif.	7705343.cif
255817	2020-09-03	cif/ Adding structures of 7705341, 7705342, 7705343, 7705344 via cif-deposit CGI script.	7705343.cif