Crystallography Open Database

Information card for entry 7034326

Preview

Coordinates	7034326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H46 Cl4 Ir2 N4 S2
Calculated formula	C33 H46 Cl4 Ir2 N4 S2
Title of publication	Synthesis of new heteroscorpionate iridium(i) and iridium(iii) complexes.
Authors of publication	Roa, A. E.; Campos, J.; Paneque, M.; Salazar, V.; Otero, A.; Lara-Sánchez, A; Rodríguez, A M; López-Solera, I; Gómez, M V
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	15
Pages of publication	6987 - 6998
a	44.234 ± 0.002 Å
b	44.234 ± 0.002 Å
c	10.1891 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	17265.5 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.084
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.0474
Goodness-of-fit parameter for all reflections included in the refinement	0.807
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
180049 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/43.	7034326.cif
134974	2015-04-06	cif/ Updating files of 7034323, 7034324, 7034325, 7034326 Original log message: Adding full bibliography for 7034323--7034326.cif.	7034326.cif
133749	2015-03-10	cif/ Adding structures of 7034323, 7034324, 7034325, 7034326 via cif-deposit CGI script.	7034326.cif