Crystallography Open Database

Information card for entry 7705341

Preview

Coordinates	7705341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.5 H18.5 Cu N1.5 O5.5 S2
Calculated formula	C18.5 H18.5 Cu N1.5 O5.5 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	9.96 ± 0.005 Å
b	10.21 ± 0.005 Å
c	12.06 ± 0.005 Å
α	102.901 ± 0.005°
β	100.793 ± 0.005°
γ	113.618 ± 0.005°
Cell volume	1041.4 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.2098
Weighted residual factors for all reflections included in the refinement	0.2146
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.82653 Å
Diffraction radiation type	synchrotron
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.	7705341.cif
255817	2020-09-03	cif/ Adding structures of 7705341, 7705342, 7705343, 7705344 via cif-deposit CGI script.	7705341.cif