Crystallography Open Database

Information card for entry 4114119

Preview

Coordinates	4114119.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	suzuki06
Formula	C13 H21 Ir N2 S2
Calculated formula	C13 H21 Ir N2 S2
SMILES	[Ir]12345([S]=C(SN=2)N(C)C)[c]2([c]1([c]4([c]3(C)[c]52C)C)C)C
Title of publication	Nitrogen Atom Insertion into Ir-S and C-S Bonds Initiated by Photolysis of Iridium(III)-Azido-Dithiocarbamato Complexes
Authors of publication	Takayoshi Suzuki; Antonio G. DiPasquale; James M. Mayer
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	10514 - 10515
a	9.729 ± 0.0003 Å
b	11.251 ± 0.0004 Å
c	14.133 ± 0.0006 Å
α	90°
β	101.808 ± 0.0014°
γ	90°
Cell volume	1514.28 ± 0.1 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
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	0.0629
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0776
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
178912 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/41.	4114119.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114119.cif
67401	2012-09-25	cif/ Adding structures of 4114119 via cif-deposit CGI script.	4114119.cif