Crystallography Open Database

Information card for entry 1551909

1551908 << 1551909 >> 1551910

Preview

Coordinates	1551909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H11.33 Cu O6.67
Calculated formula	C10 H9 Cu O6.66467
Title of publication	Hydrolytic stability in hemilabile metal-organic frameworks
Authors of publication	Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris
Journal of publication	Nature Chemistry
Year of publication	2018
Journal volume	10
Pages of publication	1096 - 1102
a	18.5676 ± 0.0012 Å
b	18.5676 ± 0.0012 Å
c	6.8056 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	2031.9 ± 0.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216574 (current)	2019-06-26	cif/ Adding structures of 1551909 via cif-deposit CGI script.	1551909.cif