Crystallography Open Database

Information card for entry 4329350

Preview

Coordinates	4329350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H26 F6 N6 P Ru S
Calculated formula	C33 H26 F6 N6 P Ru S
Title of publication	Filling Gaps in the Series of Noninnocent Hetero-1,3-diene Chelate Ligands: Ruthenium Complexes of Redox-Active α-Azocarbonyl and α-Azothiocarbonyl Ligands RNNC(R')E, E = O or S
Authors of publication	Fabian Ehret; Martina Bubrin; Ralph Hübner; David Schweinfurth; Ingo Hartenbach; Stanislav Záliš; Wolfgang Kaim
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6237 - 6244
a	10.5702 ± 0.0019 Å
b	8.8205 ± 0.0015 Å
c	33.47 ± 0.006 Å
α	90°
β	98.853 ± 0.004°
γ	90°
Cell volume	3083.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.116
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
179396 (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 4/32/93.	4329350.cif
78399	2013-04-02	cif/ Adding structures of 4329350 via cif-deposit CGI script.	4329350.cif