Crystallography Open Database

Information card for entry 4134913

Preview

Coordinates	4134913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 Cu N3 O5
Calculated formula	C17 H15 Cu N3 O5
Title of publication	Net-Clipping: An Approach to Deduce the Topology of Metal-Organic Frameworks Built with Zigzag Ligands.
Authors of publication	Ortín-Rubio, Borja; Ghasempour, Hosein; Guillerm, Vincent; Morsali, Ali; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	20
Pages of publication	9135 - 9140
a	10.17 ± 0.005 Å
b	18.68 ± 0.005 Å
c	10.35 ± 0.005 Å
α	90°
β	101.22 ± 0.05°
γ	90°
Cell volume	1928.7 ± 1.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.1785
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.82653 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252609 (current)	2020-06-04	cif/ Updating files of 4134913, 4134914 Original log message: Adding full bibliography for 4134913--4134914.cif.	4134913.cif
251856	2020-05-07	cif/ Adding structures of 4134913 via cif-deposit CGI script.	4134913.cif