Crystallography Open Database

Information card for entry 4115384

Preview

Coordinates	4115384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H325 Cu70 O P21 Se35
Calculated formula	C130 Cu70.01 O P21 Se35
Title of publication	Cluster Synthesis via Ligand-Arrested Solid Growth: Triethylphosphine-Capped Fragments of Binary Metal Chalcogenides
Authors of publication	Nathan R. M. Crawford; Allan G. Hee; Jeffrey R. Long
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	14842 - 14843
a	25.6986 ± 0.0015 Å
b	35.504 ± 0.003 Å
c	29.214 ± 0.002 Å
α	90°
β	100.573 ± 0.003°
γ	90°
Cell volume	26202 ± 3 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.3223
Residual factor for significantly intense reflections	0.1581
Weighted residual factors for significantly intense reflections	0.34
Weighted residual factors for all reflections included in the refinement	0.4339
Goodness-of-fit parameter for all reflections included in the refinement	1.313
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
178924 (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 4/11/53.	4115384.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115384.cif
68851	2012-11-21	cif/ Adding structures of 4115384 via cif-deposit CGI script.	4115384.cif