Crystallography Open Database

Information card for entry 4082037

4082036 << 4082037 >> 4082038

Preview

Coordinates	4082037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H38 Cl N4 Rh
Calculated formula	C29 H38 Cl N4 Rh
SMILES	[Rh]123(Cl)([CH]4=[CH]1CC[CH]2=[CH]3CC4)=C1N(c2ccccc2CN(C)C)C(=NN1C(C)(C)C)c1ccccc1
Title of publication	Amino Group Functionalized N-Heterocyclic 1,2,4-Triazole-Derived Carbenes: Structural Diversity of Rhodium(I) Complexes
Authors of publication	Turek, Jan; Panov, Illia; Horáček, Michal; Černošek, Zdeněk; Padělková, Zdeňka; Růžička, Aleš
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	23
Pages of publication	7234
a	10.5048 ± 0.0006 Å
b	10.614 ± 0.0005 Å
c	14.3551 ± 0.0005 Å
α	107.013 ± 0.004°
β	96.919 ± 0.004°
γ	113.477 ± 0.005°
Cell volume	1351.59 ± 0.14 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
178709 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/20.	4082037.cif
91841	2013-12-13	cif/ Adding structures of 4082036, 4082037, 4082038, 4082039, 4082040 via cif-deposit CGI script.	4082037.cif