Crystallography Open Database

Information card for entry 1554639

Preview

Coordinates	1554639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H35 Cl3 N4 O2 Pt2
Calculated formula	C51 H35 Cl3 N4 O2 Pt2
SMILES	[Pt]12([N](=Cc3c(O1)ccc1ccccc31)c1ccccc1[N]1=Cc3c4ccccc4ccc3O[Pt]31[n]1c(cccc1)c1ccccc31)[n]1ccccc1c1ccccc21.ClC(Cl)Cl
Title of publication	Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands
Authors of publication	Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng
Journal of publication	Materials Chemistry Frontiers
Year of publication	2019
Journal volume	3
Journal issue	6
Pages of publication	1199
a	10.7354 ± 0.0004 Å
b	20.1891 ± 0.0008 Å
c	21.7815 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4720.9 ± 0.3 Å³
Cell temperature	143 ± 0.1 K
Ambient diffraction temperature	143 ± 0.1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
238016 (current)	2019-11-24	cif/ Adding structures of 1554636, 1554637, 1554638, 1554639, 1554640 via cif-deposit CGI script.	1554639.cif