Crystallography Open Database

Information card for entry 7036907

Preview

Coordinates	7036907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 F24 Ir N6 O4 P3
Calculated formula	C42 H42 F24 Ir N6 O4 P3
Title of publication	Cyclometalated Ir(iii) complexes of deprotonated N-methylbipyridinium ligands: effects of quaternised N centre position on luminescence.
Authors of publication	Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James; Sánchez, Sergio; Peers, Martyn K.; Scrutton, Nigel S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	47
Pages of publication	20392 - 20405
a	14.2871 ± 0.0004 Å
b	19.2131 ± 0.0005 Å
c	37.1997 ± 0.0009 Å
α	90°
β	93.462 ± 0.001°
γ	90°
Cell volume	10192.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171257 (current)	2015-12-09	cif/ Updating files of 7036902, 7036903, 7036904, 7036905, 7036906, 7036907 Original log message: Adding full bibliography for 7036902--7036907.cif.	7036907.cif
169402	2015-10-21	cif/ Adding structures of 7036902, 7036903, 7036904, 7036905, 7036906, 7036907 via cif-deposit CGI script.	7036907.cif