Crystallography Open Database

Information card for entry 1554638

Preview

Coordinates	1554638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 Cl2 N4 O2 Pt2
Calculated formula	C42 H28 Cl2 N4 O2 Pt2
SMILES	[Pt]12(c3c(c4[n]2cccc4)cccc3)Oc2c(Cl)cccc2C=[N]1c1ccccc1[N]1[Pt]2(Oc3c(C=1)cccc3Cl)[n]1ccccc1c1ccccc21
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	9.6783 ± 0.0005 Å
b	18.7346 ± 0.0011 Å
c	19.5011 ± 0.001 Å
α	90°
β	100.777 ± 0.005°
γ	90°
Cell volume	3473.6 ± 0.3 Å³
Cell temperature	143 ± 0.1 K
Ambient diffraction temperature	143 ± 0.1 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	0.0471
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	1554638.cif