Crystallography Open Database

Information card for entry 7233126

Preview

Coordinates	7233126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Cl N3 Pt
Calculated formula	C36 H36 Cl N3 Pt
SMILES	[Pt]12([n]3c(c4cccc[n]24)cc(cc3c2ccccc12)c1ccc(cc1)N(c1ccccc1)CCCCCCCC)Cl
Title of publication	Electrochromic and proton-induced phosphorescence properties of Pt(II) chlorides with arylamine functionalized cyclometalating ligands
Authors of publication	Dongfang Qiu; Xiaoyu Bao; Qian Zhao; Yu-Quan Feng; Hongwei Wang; Kecheng Liu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	695 - 704
a	17.668 ± 0.007 Å
b	18.234 ± 0.008 Å
c	9.624 ± 0.004 Å
α	90°
β	98.597 ± 0.007°
γ	90°
Cell volume	3066 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1254
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1466
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
217036 (current)	2019-07-15	cif/ Adding structures of 7233126 via cif-deposit CGI script.	7233126.cif