Crystallography Open Database

Information card for entry 4117230

Preview

Coordinates	4117230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C1225.5 H1327.5 Cd66 N128.5 O332.5
Calculated formula	C949.5 H671.5 Cd66 N28.5 O216.5
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	57.7039 ± 0.0004 Å
b	57.7039 ± 0.0004 Å
c	70.9767 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	204671 ± 3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.138
Residual factor for significantly intense reflections	0.0888
Weighted residual factors for significantly intense reflections	0.238
Weighted residual factors for all reflections included in the refinement	0.272
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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