Crystallography Open Database

Information card for entry 1551264

Preview

Coordinates	1551264.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Zn-GGH
Formula	C12.73 H19.38 N5.91 O4.91 Zn
Calculated formula	C12.73 H19.37 N5.91 O4.91 Zn
Title of publication	Chemical control of structure and guest uptake by a conformationally mobile porous material
Authors of publication	Alexandros P. Katsoulidis; Dmytro Antypov; George F. S. Whitehead; Elliot J. Carrington; Dave J. Adams; Neil G. Berry; George R. Darling; Matthew S. Dyer; Matthew J. Rosseinsky
Journal of publication	Nature
Year of publication	2019
Journal volume	565
Pages of publication	213 - 217
a	9.6261 ± 0.0006 Å
b	9.0444 ± 0.0005 Å
c	11.6284 ± 0.001 Å
α	90°
β	112.735 ± 0.008°
γ	90°
Cell volume	933.73 ± 0.12 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1535
Weighted residual factors for all reflections included in the refinement	0.1647
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
215743 (current)	2019-06-07	cif/ Adding structures of 1551264 via cif-deposit CGI script.	1551264.cif