Crystallography Open Database

Information card for entry 4117234

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Coordinates	4117234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H76 Cd3 Cl N3 O13
Calculated formula	C97 H76 Cd3 Cl N3 O13
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	30.7832 ± 0.0006 Å
b	11.41495 ± 0.00019 Å
c	23.7561 ± 0.0004 Å
α	90°
β	101.419 ± 0.0017°
γ	90°
Cell volume	8182.4 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1422
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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