Crystallography Open Database

Information card for entry 4348836

Preview

Coordinates	4348836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H41 N5 O8 Zn2
Calculated formula	C44 H41 N5 O8 Zn2
Title of publication	Porous Polyrotaxane Coordination Networks Containing Two Distinct Conformers of a Discontinuously Flexible Ligand.
Authors of publication	Hawes, Chris S.; Knowles, Gregory P.; Chaffee, Alan L.; White, Keith F.; Abrahams, Brendan F.; Batten, Stuart R.; Turner, David R.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	20
Pages of publication	10467 - 10474
a	11.739 ± 0.002 Å
b	13.76 ± 0.003 Å
c	16.428 ± 0.003 Å
α	114.67 ± 0.03°
β	95.03 ± 0.03°
γ	92.65 ± 0.03°
Cell volume	2392 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1001
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1868
Weighted residual factors for all reflections included in the refinement	0.208
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.7109 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233420 (current)	2019-11-23	cif/ Adding structures of 4348835, 4348836 via cif-deposit CGI script.	4348836.cif