Crystallography Open Database

Information card for entry 7233584

Preview

Coordinates	7233584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 N2 Pt
Calculated formula	C31 H26 N2 Pt
SMILES	C(#Cc1ccccc1)[Pt]12c3ccccc3c3cccc(c4cc5c(c[n]24)[C@H]2C[C@@H](C5)C2(C)C)[n]13
Title of publication	Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands
Authors of publication	Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	184 - 194
a	6.2882 ± 0.0015 Å
b	11.994 ± 0.003 Å
c	32.734 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	2468.8 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0902
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1559
Weighted residual factors for all reflections included in the refinement	0.1629
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
217873 (current)	2019-08-30	cif/ Adding structures of 7233584 via cif-deposit CGI script.	7233584.cif