Crystallography Open Database

Information card for entry 7028458

Preview

Coordinates	7028458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 F6 Ir N4 P
Calculated formula	C30 H40 F6 Ir N4 P
Title of publication	It's all about Me: methyl-induced control of coordination stereochemistry by a flexible tridentate N,C,N' ligand.
Authors of publication	Kariuki, Benson M.; Platts, James A.; Newman, Paul D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	7
Pages of publication	2971 - 2978
a	10.42 ± 0.0003 Å
b	11.6201 ± 0.0003 Å
c	14.6854 ± 0.0003 Å
α	108.477 ± 0.002°
β	90.483 ± 0.002°
γ	116.294 ± 0.001°
Cell volume	1488.64 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179990 (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 7/02/84.	7028458.cif
105323	2014-03-12	cif/ Adding structures of 7028458, 7028459, 7028460 via cif-deposit CGI script.	7028458.cif