Crystallography Open Database

Information card for entry 4335151

Preview

Coordinates	4335151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C146 H120 Cl30 Cu12 Fe4 P8 S6
Calculated formula	C146 H120 Cl30 Cu12 Fe4 P8 S6
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	21.4243 ± 0.0002 Å
b	21.4243 ± 0.0002 Å
c	17.8779 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8205.97 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1717
Weighted residual factors for all reflections included in the refinement	0.211
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
179454 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/51.	4335151.cif
101058	2014-02-10	cif/ Adding structures of 4335151 via cif-deposit CGI script.	4335151.cif