Crystallography Open Database

Information card for entry 4117232

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Coordinates	4117232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H122 Cd3 N8 O26
Calculated formula	C100.5 H78.5 Cd3 N3.5 O19
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	37.7593 ± 0.0011 Å
b	16.0278 ± 0.0005 Å
c	20.2686 ± 0.0006 Å
α	90°
β	105.531 ± 0.003°
γ	90°
Cell volume	11818.6 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
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	0.103
Residual factor for significantly intense reflections	0.086
Weighted residual factors for significantly intense reflections	0.267
Weighted residual factors for all reflections included in the refinement	0.289
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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