Crystallography Open Database

Information card for entry 4324892

Preview

Coordinates	4324892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H29 Cl3 F4 Ir N2 O2 P
Calculated formula	C45 H29 Cl3 F4 Ir N2 O2 P
Title of publication	Water Attack Umpolung Aromatic Systems To Release Hydrogen
Authors of publication	Tsun-Ren Chen; Hsiu-Pen Lee; Jhy-Der Chen
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	3645 - 3650
a	10.5124 ± 0.0002 Å
b	13.2493 ± 0.0004 Å
c	15.7584 ± 0.0004 Å
α	89.34 ± 0.002°
β	70.9 ± 0.002°
γ	77.471 ± 0.002°
Cell volume	2020.43 ± 0.09 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 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	0.0925
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1639
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation probe	x-ray
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
179351 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/48.	4324892.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324892.cif
43343	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324892 via cif-deposit CGI script.	4324892.cif