Crystallography Open Database

Information card for entry 7019843

7019842 << 7019843 >> 7019844

Preview

Coordinates	7019843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H36 Cl F2 Ir N P2
Calculated formula	C47 H36 Cl F2 Ir N P2
SMILES	[Ir]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2c(c3c1cc(F)cc3F)cccc2
Title of publication	One-pot synthesis of strong solid state emitting mono-cyclometalated iridium(iii) complexes: study of their aggregation induced enhanced phosphorescence.
Authors of publication	Alam, Parvej; Karanam, Maheswararao; Roy Choudhury, Angshuman; Rahaman Laskar, Inamur
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	31
Pages of publication	9276 - 9279
a	32.2085 ± 0.0004 Å
b	12.2682 ± 0.0001 Å
c	9.683 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3826.14 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0233
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0622
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179902 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/98.	7019843.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019843.cif
64330	2012-08-12	cif/ Adding structures of 7019843 via cif-deposit CGI script.	7019843.cif