Crystallography Open Database

Information card for entry 4111960

4111959 << 4111960 >> 4111961

Preview

Coordinates	4111960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H60 Hg2 N8 Se10.08 Yb4
Calculated formula	C64 H60 Hg2 N8 Se10.078 Yb4
Title of publication	Heterometallic Chalcogenido Clusters Containing Lanthanides and Main Group Metals: Emissive Precursors to Ternary Solid-State Compounds
Authors of publication	Anna Kornienko; Santanu Banerjee; G. Ajith Kumar; Richard E. Riman; Thomas J. Emge; John G. Brennan
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	14008 - 14014
a	12.907 ± 0.0006 Å
b	17.5001 ± 0.0008 Å
c	16.9594 ± 0.0008 Å
α	90°
β	111.849 ± 0.001°
γ	90°
Cell volume	3555.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0664
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
178890 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/19.	4111960.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111960.cif
63576	2012-08-04	cif/ Adding structures of 4111960 via cif-deposit CGI script.	4111960.cif