Crystallography Open Database

Information card for entry 7006200

Preview

Coordinates	7006200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H35 Ir N2 O4 S2 Si
Calculated formula	C26 H35 Ir N2 O4 S2 Si
SMILES	[Ir]12345(N(S(=O)(=O)c6ccc(cc6)C)[Si](N1S(=O)(=O)c1ccc(cc1)C)(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
Title of publication	Silylenediamido [(CH3)2Si(NTs)2(2-); Ts = p-CH3C6H4SO2] complexes of iridium: synthesis, structures and facile Si-N bond cleavage.
Authors of publication	Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	33
Pages of publication	3606 - 3608
a	14.045 ± 0.004 Å
b	18.43 ± 0.005 Å
c	22.74 ± 0.006 Å
α	90°
β	98.606 ± 0.003°
γ	90°
Cell volume	5820 ± 3 Å³
Cell temperature	193.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7006200.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006200.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006200.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7006200.cif