Crystallography Open Database

Information card for entry 7015736

Preview

Coordinates	7015736.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	wb12nov10
Formula	C27 H35 I Ir N2 O P
Calculated formula	C27 H35 I Ir N2 O P
SMILES	c1(ccccc1)[P]1(c2ccccc2)c2ccccc2N2CC[N](C)(C)[Ir]12(C)(I)[O]1CCCC1
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	10.255 ± 0.005 Å
b	16.564 ± 0.008 Å
c	15.548 ± 0.008 Å
α	90°
β	98.231 ± 0.006°
γ	90°
Cell volume	2614 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for significantly intense reflections	0.2085
Weighted residual factors for all reflections included in the refinement	0.2387
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
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.	7015736.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015736.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015736.cif
21332	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7015735, 7015736 via cif-deposit CGI script.	7015736.cif