Crystallography Open Database

Information card for entry 4335154

Preview

Coordinates	4335154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H92 Cu4 Fe2 O4.5 P4 Te3
Calculated formula	C86 H92 Cu4 Fe2 O4.5 P4 Te3
Title of publication	Copper Chalcogenide Clusters Stabilized with Ferrocene-Based Diphosphine Ligands
Authors of publication	Chhatra B. Khadka; Bahareh Khalili Najafabadi; Mahdi Hesari; Mark S. Workentin; John F. Corrigan
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6798 - 6805
a	26.451 ± 0.004 Å
b	18.553 ± 0.002 Å
c	18.152 ± 0.002 Å
α	90°
β	109.966 ± 0.003°
γ	90°
Cell volume	8372.6 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.1494
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1963
Weighted residual factors for all reflections included in the refinement	0.2215
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4335154.cif
101061	2014-02-10	cif/ Adding structures of 4335154 via cif-deposit CGI script.	4335154.cif