Crystallography Open Database

Information card for entry 4120673

4120672 << 4120673 >> 4120674

Preview

Coordinates	4120673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 B F4 N5 Pt
Calculated formula	C24 H26 B F4 N5 Pt
SMILES	[Pt]12(c3c(c4[n]1cccc4)cccc3)[n]1ccccc1c1cn(n[n]21)CCCCCC.[B](F)(F)(F)[F-]
Title of publication	Columnar Liquid Crystallinity and Mechanochromism in Cationic Platinum(II) Complexes.
Authors of publication	Krikorian, Markrete; Liu, Shuang; Swager, Timothy M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	8
Pages of publication	2952
a	14.6099 ± 0.0007 Å
b	7.1043 ± 0.0003 Å
c	22.2579 ± 0.001 Å
α	90°
β	95.823 ± 0.003°
γ	90°
Cell volume	2298.3 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1166
Residual factor for significantly intense reflections	0.0938
Weighted residual factors for significantly intense reflections	0.2349
Weighted residual factors for all reflections included in the refinement	0.2535
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
178983 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/06.	4120673.cif
106660	2014-03-15	cif/ Adding structures of 4120673 via cif-deposit CGI script.	4120673.cif