Crystallography Open Database

Information card for entry 7023247

Preview

Coordinates	7023247.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N2 O S4 Sn
Calculated formula	C20 H14 N2 O S4 Sn
Title of publication	Dithiolene dimetallic molybdenum(V) complexes displaying intraligand charge transfer (ILCT) emission.
Authors of publication	Recatalá, David; Gushchin, Artem L.; Llusar, Rosa; Galindo, F.; Brylev, Konstantin A.; Ryzhikov, Maxim R.; Kitamura, Noboru
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	36
Pages of publication	12947 - 12955
a	6.90185 ± 0.00015 Å
b	15.767 ± 0.0004 Å
c	10.3916 ± 0.0003 Å
α	90°
β	93.706 ± 0.002°
γ	90°
Cell volume	1128.46 ± 0.05 Å³
Cell temperature	199.95 ± 0.1 K
Ambient diffraction temperature	199.95 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179937 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/32.	7023247.cif
90479	2013-11-17	cif/ Adding structures of 7023246, 7023247 via cif-deposit CGI script.	7023247.cif