Crystallography Open Database

Information card for entry 7700942

Preview

Coordinates	7700942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C159 H143 Cl18 Cu13 P4 Se13
Calculated formula	C151 H127 Cl2 Cu13 P4 Se13
Title of publication	Sub-nanometer Cu(i) clusters: coordination-modulated (Se vs. S) atom-packing mode and emission.
Authors of publication	Ke, Feng; Song, Yongbo; Li, Hao; Zhou, Chuanjun; Du, Yuanxin; Zhu, Manzhou
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	37
Pages of publication	13921 - 13924
a	17.6959 ± 0.0019 Å
b	19.509 ± 0.002 Å
c	25.994 ± 0.003 Å
α	79.22 ± 0.001°
β	87.641 ± 0.002°
γ	63.613 ± 0.001°
Cell volume	7888.1 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1187
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7700942.html