Crystallography Open Database

Information card for entry 7055925

Preview

Coordinates	7055925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H186 Cu2 N24 O43 S13
Calculated formula	C104 H88 Cu2 N24 O20 S4
Title of publication	Ligand and solvent effects in the formation and self-assembly of a metallosupramolecular cage
Authors of publication	Adarsh, N. N.; Chakraborty, Amarnath; Tarrés, Màrius; Dey, Surjendu; Novio, Fernando; Chattopadhyay, Basab; Ribas, Xavi; Ruiz-Molina, Daniel
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	3
Pages of publication	1179
a	17.3071 ± 0.0006 Å
b	17.3071 ± 0.0006 Å
c	28.5287 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	8545.4 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1993
Weighted residual factors for all reflections included in the refinement	0.2113
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7055925.html