Crystallography Open Database

Information card for entry 4129950

Preview

Coordinates	4129950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H216 B Cu33 F4 Mo4 O16
Calculated formula	C144 H216 B Cu33 F4 Mo4 O16
Title of publication	Comproportionation Synthesis of Copper(I) Alkynyl Complexes Encapsulating Polyoxomolybdate Templates: Bowl-Shaped Cu33 and Peanut-Shaped Cu62 Nanoclusters.
Authors of publication	Zhang, Li-Min; Mak, Thomas C. W.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	9
Pages of publication	2909 - 2912
a	18.3273 ± 0.0018 Å
b	59.907 ± 0.006 Å
c	19.5146 ± 0.0015 Å
α	90°
β	118.25 ± 0.007°
γ	90°
Cell volume	18874 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1167
Residual factor for significantly intense reflections	0.0966
Weighted residual factors for significantly intense reflections	0.2086
Weighted residual factors for all reflections included in the refinement	0.2181
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
240568 (current)	2019-11-25	cif/ Adding structures of 4129948, 4129949, 4129950, 4129951 via cif-deposit CGI script.	4129950.cif