Crystallography Open Database

Information card for entry 4326083

Preview

Coordinates	4326083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C211 H368 Cu16 N34 O S24
Calculated formula	C211 H320 Cu16 N34 O S24
Title of publication	A Copper(I) Homocubane Collapses to a Tetracapped Tetrahedron Upon Hydride Insertion
Authors of publication	Ping-Kuei Liao; Kuan-Guan Liu; Ching-Shiang Fang; C. W. Liu; John P. Fackler; Ying-Yann Wu
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	8410 - 8417
a	16.9201 ± 0.0018 Å
b	16.9808 ± 0.0018 Å
c	24.707 ± 0.003 Å
α	76.071 ± 0.002°
β	73.921 ± 0.002°
γ	76.239 ± 0.002°
Cell volume	6508 ± 1.3 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1408
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179363 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/60.	4326083.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326083.cif
47124	2012-03-22	../uploads/cif-deposit/cod/cif Adding structures of 4326083 via cif-deposit CGI script.	4326083.cif