Crystallography Open Database

Information card for entry 4346270

Preview

Coordinates	4346270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H200 Cu24 O2 P12 S12
Calculated formula	C128 H200 Cu24 O2 P12 S12
Title of publication	Luminescence in phosphine-stabilized copper chalcogenide cluster molecules‒a comparative study.
Authors of publication	Eichhöfer, Andreas; Buth, Gernot; Lebedkin, Sergei; Kühn, Michael; Weigend, Florian
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	19
Pages of publication	9413 - 9422
a	14.7868 ± 0.0015 Å
b	16.5674 ± 0.0017 Å
c	18.3835 ± 0.0019 Å
α	94.796 ± 0.001°
β	102.005 ± 0.001°
γ	112.14 ± 0.001°
Cell volume	4014.5 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0446
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4346270.html