Crystallography Open Database

Information card for entry 1508205

Preview

Coordinates	1508205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H55 Cu2 N O19
Calculated formula	C35 H47.02 Cu2 N O16
Title of publication	Metal-organic frameworks with dynamic interlocked components.
Authors of publication	Vukotic, V. Nicholas; Harris, Kristopher J.; Zhu, Kelong; Schurko, Robert W.; Loeb, Stephen J.
Journal of publication	Nature chemistry
Year of publication	2012
Journal volume	4
Journal issue	6
Pages of publication	456 - 460
a	23.127 ± 0.004 Å
b	23.127 ± 0.004 Å
c	19.723 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	9136 ± 3 Å³
Cell temperature	148 ± 2 K
Ambient diffraction temperature	148 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.2182
Residual factor for significantly intense reflections	0.1994
Weighted residual factors for significantly intense reflections	0.5549
Weighted residual factors for all reflections included in the refinement	0.5617
Goodness-of-fit parameter for all reflections included in the refinement	2.363
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508205.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508205.cif
62751	2012-07-09	cif/ Adding structures of 1508205 via cif-deposit CGI script.	1508205.cif