Crystallography Open Database

Information card for entry 1570207

Preview

Coordinates	1570207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.38 H16 Cu1.23 O7.38
Calculated formula	C23.3846 H16 Cu1.23077 O7.38462
Title of publication	Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers.
Authors of publication	Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	45
Pages of publication	12984 - 12994
a	32.415 ± 0.003 Å
b	23.5559 ± 0.0003 Å
c	16.0326 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	12241.9 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.1156
Residual factor for significantly intense reflections	0.1077
Weighted residual factors for significantly intense reflections	0.2922
Weighted residual factors for all reflections included in the refinement	0.2957
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.82653 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288768 (current)	2024-01-06	cif/ Updating files of 1570205, 1570206, 1570207 Original log message: Adding full bibliography for 1570205--1570207.cif.	1570207.cif
287149	2023-10-28	cif/ Adding structures of 1570205, 1570206, 1570207 via cif-deposit CGI script.	1570207.cif