Crystallography Open Database

Information card for entry 4324242

Preview

Coordinates	4324242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H44 Cl4 Cu2 P4 S4 Se2
Calculated formula	C52 H44 Cl4 Cu2 P4 S4 Se2
Title of publication	Identification of a Novel η2-Se2 Bonding Mode in Cu(I) Complexes of the Dimeric Selenocarbonyl Dianions, [(EPh2P)2CSeSeC(PPh2E)2]2- (E = S, Se)
Authors of publication	Maarit Risto; Jari Konu; Tristram Chivers
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	406 - 408
a	10.557 ± 0.002 Å
b	10.974 ± 0.002 Å
c	24.894 ± 0.005 Å
α	89.65 ± 0.03°
β	78.14 ± 0.03°
γ	73.13 ± 0.03°
Cell volume	2696.6 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1028
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1788
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179345 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/42.	4324242.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324242.cif
40947	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324242 via cif-deposit CGI script.	4324242.cif