Crystallography Open Database

Information card for entry 2019283

2019282 << 2019283 >> 2019284

Preview

Coordinates	2019283.cif
Original IUCr paper	HTML

Structure parameters

Common name	(S,R)-[Ru^II^(H)(Cl)(<i>trop</i>HN(CH~2~)~3~HN<i>trop</i>)]
Chemical name	Chlorido{(1<i>SR</i>,2<i>RS</i>)-<i>N</i>,<i>N</i>'-bis[(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine]propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>'}hydridoruthenium(II)
Formula	C33 H31 Cl N2 Ru
Calculated formula	C33 H31 Cl N2 Ru
Title of publication	Ru^II^‒hydride‒<i>trop</i> complexes: X-ray single-crystal determination and quantum-chemical calculations
Authors of publication	Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael; Sacchetti, Vittorio; Grützmacher, Hansjörg
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	1421 - 1426
a	24.1125 ± 0.0004 Å
b	24.1125 ± 0.0004 Å
c	18.0487 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	10493.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	0.918
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019283.cif
92098	2014-01-12	cif/ Adding structures of 2019281, 2019282, 2019283 via cif-deposit CGI script.	2019283.cif