Crystallography Open Database

Information card for entry 7026693

Preview

Coordinates	7026693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H23 F4 Ir N2 O4
Calculated formula	C41 H23 F4 Ir0.99995 N2 O4
Title of publication	An 18+δ iridium dimer releasing metalloradicals spontaneously.
Authors of publication	Chen, Tsun-Ren; Lee, Hsiu-Pen; Chen, Jhy-Der; Chen, Kelvin H.-C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	40
Pages of publication	9458 - 9461
a	12.0381 ± 0.0003 Å
b	14.6705 ± 0.0004 Å
c	19.532 ± 0.0005 Å
α	102.358 ± 0.002°
β	95.205 ± 0.002°
γ	94.203 ± 0.002°
Cell volume	3340.36 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0874
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
179972 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/66.	7026693.cif
93565	2014-01-13	cif/ Adding structures of 7026692, 7026693, 7026694 via cif-deposit CGI script.	7026693.cif