Crystallography Open Database

Information card for entry 7057755

Preview

Coordinates	7057755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H26 N4 O12 S2 Zn2
Calculated formula	C40 H26 N4 O12 S2 Zn2
Title of publication	Acid- and base-stable porous mechanically interlocked 2D metal‒organic polyrotaxane for in situ organochlorine insecticide encapsulation, sensing and removal
Authors of publication	Abdolalian, Payam; Morsali, Ali; Makhloufi, Gamall; Janiak, Christoph
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	22
Pages of publication	18152
a	11.7927 ± 0.001 Å
b	12.7479 ± 0.0011 Å
c	17.1763 ± 0.0016 Å
α	103.52 ± 0.004°
β	105.261 ± 0.004°
γ	97.511 ± 0.004°
Cell volume	2370.6 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.0952
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1
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
230219 (current)	2019-11-17	cif/ Updating files of 7057755 Original log message: Adding full bibliography for 7057755.cif.	7057755.cif
211210	2018-09-28	cif/ Adding structures of 7057755 via cif-deposit CGI script.	7057755.cif