Crystallography Open Database

Information card for entry 7015735

Preview

Coordinates	7015735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 Ir N2 P
Calculated formula	C24 H29 Ir N2 P
SMILES	C1C[N](C)(C)[Ir]2(C)(C)N1c1ccccc1[P]2(c1ccccc1)c1ccccc1
Title of publication	Synthesis and coordination chemistry of organoiridium complexes supported by an anionic tridentate ligand.
Authors of publication	Leonard, Nadia G.; Williard, Paul G.; Bernskoetter, Wesley H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	16
Pages of publication	4300 - 4306
a	16.679 ± 0.005 Å
b	15.389 ± 0.005 Å
c	17.057 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4378 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179861 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/57.	7015735.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015735.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015735.cif
21332	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7015735, 7015736 via cif-deposit CGI script.	7015735.cif