Crystallography Open Database

Information card for entry 4067715

Preview

Coordinates	4067715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H80 Cl2 F12 Ir2 N2 O2 P2
Calculated formula	C75 H80 Cl2 F12 Ir2 N2 O2 P2
Title of publication	Reactions of Cyclometalated Oxazoline Half-Sandwich Complexes of Iridium and Ruthenium with Alkynes and CO
Authors of publication	Davies, David L.; Al-Duaij, Omar; Fawcett, John; Singh, Kuldip
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	6
Pages of publication	1413
a	10.278 ± 0.0012 Å
b	10.6585 ± 0.0013 Å
c	16.3 ± 0.002 Å
α	90.631 ± 0.002°
β	97.335 ± 0.002°
γ	101.336 ± 0.002°
Cell volume	1735.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
178568 (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 4/06/77.	4067715.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067715.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067715.cif
34275	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067711, 4067712, 4067713, 4067714, 4067715 via cif-deposit CGI script.	4067715.cif