Crystallography Open Database

Information card for entry 7705344

Preview

Coordinates	7705344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 Cu2 N6 O10 S2
Calculated formula	C34 H24 Cu2 N6 O10 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	8.9361 ± 0.0004 Å
b	24.696 ± 0.0015 Å
c	10.4597 ± 0.0004 Å
α	90°
β	110.946 ± 0.004°
γ	90°
Cell volume	2155.77 ± 0.19 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1039
Residual factor for significantly intense reflections	0.088
Weighted residual factors for significantly intense reflections	0.2652
Weighted residual factors for all reflections included in the refinement	0.2797
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
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
257502 (current)	2020-10-06	cif/ Updating files of 7705341, 7705342, 7705343, 7705344 Original log message: Adding full bibliography for 7705341--7705344.cif.	7705344.cif
255817	2020-09-03	cif/ Adding structures of 7705341, 7705342, 7705343, 7705344 via cif-deposit CGI script.	7705344.cif