Crystallography Open Database

Information card for entry 4126209

Preview

Coordinates	4126209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 H566 Cu24 N84 O253
Calculated formula	C180 H204 Cu24 N84 O253
Title of publication	Postsynthetic Approach for the Rational Design of Chiral Ferroelectric Metal-Organic Frameworks.
Authors of publication	Mon, Marta; Ferrando-Soria, Jesús; Verdaguer, Michel; Train, Cyrille; Paillard, Charles; Dkhil, Brahim; Versace, Carlo; Bruno, Rosaria; Armentano, Donatella; Pardo, Emilio
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	24
Pages of publication	8098 - 8101
a	38.2768 ± 0.0018 Å
b	38.2768 ± 0.0018 Å
c	34.6107 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	43915 ± 4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.201
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200658 (current)	2017-09-12	cif/ Updating files of 4126209 Original log message: Adding full bibliography for 4126209.cif.	4126209.cif
197734	2017-06-11	cif/ Adding structures of 4126209 via cif-deposit CGI script.	4126209.cif