Crystallography Open Database

Information card for entry 4325440

Preview

Coordinates	4325440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H35 Cl3 Ir O4 n7
Calculated formula	C29.5 H35 Cl3 Ir N7 O4
Title of publication	Contrasting Reactivity and Cancer Cell Cytotoxicity of Isoelectronic Organometallic Iridium(III) Complexes
Authors of publication	Zhe Liu; Luca Salassa; Abraha Habtemariam; Ana M. Pizarro; Guy J. Clarkson; Peter J. Sadler
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5777 - 5783
a	11.00314 ± 0.00016 Å
b	12.2976 ± 0.0002 Å
c	13.3976 ± 0.0002 Å
α	76.731 ± 0.0014°
β	67.6432 ± 0.0014°
γ	88.3673 ± 0.0013°
Cell volume	1628.35 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325440.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325440.cif
44510	2012-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4325440 via cif-deposit CGI script.	4325440.cif