Crystallography Open Database

Information card for entry 1549672

Preview

Coordinates	1549672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C152 H164 Cu4 O34
Calculated formula	C152 H164 Cu4 O34
Title of publication	Switchable gate-opening effect in metal-organic polyhedra assemblies through solution processing.
Authors of publication	Craig, Gavin A.; Larpent, Patrick; Kusaka, Shinpei; Matsuda, Ryotaro; Kitagawa, Susumu; Furukawa, Shuhei
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	31
Pages of publication	6463 - 6469
a	18.5382 ± 0.0015 Å
b	25.36 ± 0.0016 Å
c	19.6509 ± 0.0016 Å
α	90°
β	116.08 ± 0.01°
γ	90°
Cell volume	8297.8 ± 1.3 Å³
Cell temperature	97 K
Ambient diffraction temperature	97 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1301
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
228810 (current)	2019-11-17	cif/ Updating files of 1549671, 1549672, 1549673 Original log message: Adding full bibliography for 1549671--1549673.cif.	1549672.cif
208957	2018-07-11	cif/ Adding structures of 1549671, 1549672, 1549673 via cif-deposit CGI script.	1549672.cif