Crystallography Open Database

Information card for entry 4117233

Preview

Coordinates	4117233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H82 Cd3 N4 O16
Calculated formula	C102 H82 Cd3 N4 O16
Title of publication	High-Nuclearity Metal-Organic Nanospheres: A Cd66 Ball
Authors of publication	Stephen P. Argent; Alex Greenaway; Maria del Carmen Gimenez-Lopez; William Lewis; Harriott Nowell; Andrei N. Khlobystov; Alexander J. Blake; Neil R. Champness; Martin Schröder
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	55 - 58
a	10.4977 ± 0.0017 Å
b	13.273 ± 0.004 Å
c	16.561 ± 0.003 Å
α	88.393 ± 0.017°
β	76.549 ± 0.013°
γ	69.16 ± 0.02°
Cell volume	2093.6 ± 0.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.147
Residual factor for significantly intense reflections	0.089
Weighted residual factors for significantly intense reflections	0.198
Weighted residual factors for all reflections included in the refinement	0.228
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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/4117233.html