Crystallography Open Database

Information card for entry 4117231

Preview

Coordinates	4117231.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C1242 H1296 Cd66 N116 O316
Calculated formula	C930 H556 Cd66 N12 O212
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	35.4763 ± 0.0002 Å
b	43.6363 ± 0.0003 Å
c	48.9095 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	75714.6 ± 0.8 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	48
Hermann-Mauguin space group symbol	P n n n :2
Hall space group symbol	-P 2ab 2bc
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1405
Weighted residual factors for all reflections included in the refinement	0.1497
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4117231.html