Crystallography Open Database

Information card for entry 7234124

Preview

Coordinates	7234124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H66 Cl2 N2 O2 Pt
Calculated formula	C57 H66 Cl2 N2 O2 Pt
SMILES	[Pt]12(c3ccccc3c3[n]2c2c(c(c3)c3ccc(cc3)CCCCn3c4ccc(cc4c4cc(ccc34)C(C)(C)C)C(C)(C)C)cccc2)OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C.C(Cl)Cl
Title of publication	Enhancement of luminescence performance from the alteration of stacking patterns of Pt(ii) dendrimers
Authors of publication	Hui Li; Wei Yuan; Xingdong Wang; Hongmei Zhan; Zhiyuan Xie; Yanxiang Cheng
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	2744 - 2750
a	12.5676 ± 0.0008 Å
b	29.5883 ± 0.0019 Å
c	13.6576 ± 0.0009 Å
α	90°
β	99.092 ± 0.001°
γ	90°
Cell volume	5014.8 ± 0.6 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	6
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	0.0798
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.1742
Goodness-of-fit parameter for all reflections included in the refinement	1
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
218810 (current)	2019-09-25	cif/ Adding structures of 7234123, 7234124, 7234125 via cif-deposit CGI script.	7234124.cif