Crystallography Open Database

Information card for entry 7117764

Preview

Coordinates	7117764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H48 N5 Pt
Calculated formula	C32 H49 N5 Pt
SMILES	[Pt]1(c2c(c3[n]1cccc3)ccc(c2)C)(C#N)C#N.[N+](CCCC)(CCCC)(CCCC)CCCC.N#CC
Title of publication	A dual-emissive ionic liquid based on an anionic platinum(II) complex
Authors of publication	Ogawa, Tomohiro; Yoshida, Masaki; Ohara, Hiroki; Kobayashi, Atsushi; Kato, Masako
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2015
Journal volume	51
Journal issue	69
Pages of publication	13377 - 13380
a	22.614 ± 0.008 Å
b	8.529 ± 0.003 Å
c	17.808 ± 0.006 Å
α	90°
β	107.877 ± 0.005°
γ	90°
Cell volume	3269 ± 2 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Duplicate of	7117651
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210994 (current)	2018-09-15	cif/7/11/ Updating bibliography in entries 7117651-7117652, 7117764-7117765. Marking entries 7117764-7117765 as duplicates of entries 7117651-7117652.	7117764.cif
154897	2015-09-06	cif/ Adding structures of 7117764, 7117765 via cif-deposit CGI script.	7117764.cif