Crystallography Open Database

Information card for entry 4065331

Preview

Coordinates	4065331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 Ir4 N O11
Calculated formula	C25 H25 Ir4 N O11
SMILES	[Ir]1234([Ir]56([Ir]1([Ir]25(C#[O])(C#[O])C#[O])(C3=O)(C6=O)(C#[O])C#[O])(C4=O)(C#[O])C#[O])(C#[O])c1ccccc1.C(C)[N+](CC)(CC)CC
Title of publication	Transmetalation Reactions Yield New Tetra- and Pentairidium Carbonyl Complexes Containing σ-Bonded Phenyl Rings
Authors of publication	Adams, Richard D.; Chen, Mingwei
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	21
Pages of publication	5867
a	15.6537 ± 0.0008 Å
b	13.4349 ± 0.0007 Å
c	16.4958 ± 0.0009 Å
α	90°
β	113.836 ± 0.001°
γ	90°
Cell volume	3173.3 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
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	0.061
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
178546 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/53.	4065331.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065331.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065331.cif
33253	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065331, 4065332, 4065333, 4065334 via cif-deposit CGI script.	4065331.cif