Crystallography Open Database

Information card for entry 1559071

Preview

Coordinates	1559071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C504 H472 B24 Cd12 F96 N120 O20
Calculated formula	C480 H396 B10.5 Cd12 F42 N108 O9.24
Title of publication	A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces
Authors of publication	Argent, Stephen P.; Jackson, Fiona C.; Chan, Ho Man; Meyrick, Sam; Taylor, Christopher G. P.; Ronson, Tanya K.; Rourke, Jonathan P.; Ward, Michael D.
Journal of publication	Chemical Science
Year of publication	2020
a	89.68 ± 0.03 Å
b	24.7801 ± 0.001 Å
c	51.463 ± 0.019 Å
α	90°
β	147.82 ± 0.09°
γ	90°
Cell volume	60909 ± 16 Å³
Cell temperature	150.04 ± 0.11 K
Ambient diffraction temperature	150.04 ± 0.11 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1632
Residual factor for significantly intense reflections	0.1287
Weighted residual factors for significantly intense reflections	0.3762
Weighted residual factors for all reflections included in the refinement	0.4159
Goodness-of-fit parameter for all reflections included in the refinement	1.565
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
256370 (current)	2020-09-12	cif/ Adding structures of 1559070, 1559071, 1559072 via cif-deposit CGI script.	1559071.cif