Crystallography Open Database

Information card for entry 7234121

Preview

Coordinates	7234121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H29.5 F3 N3 O3 Pt S
Calculated formula	C33 H29.5 F3 N3 O3 Pt S
SMILES	C(#[N]c1c(cccc1C)C)[Pt]12c3ccccc3c3cccc(c4cc5c(c[n]24)[C@@H]2C[C@H](C5)C2(C)C)[n]13.C(F)(F)(F)S(=O)(=O)[O-]
Title of publication	Mechano-induced luminescent and chiroptical switching in chiral cyclometalated platinum(ii) complexes
Authors of publication	Xiao-Peng Zhang; Jin-Feng Mei; Jian-Cheng Lai; Cheng-Hui Li; Xiao-Zeng You
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	2350 - 2357
a	9.895 ± 0.002 Å
b	11.075 ± 0.002 Å
c	15.169 ± 0.003 Å
α	71.726 ± 0.003°
β	83.896 ± 0.004°
γ	85.526 ± 0.004°
Cell volume	1567.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1658
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
294326 (current)	2024-09-02	cif/7: Fixing some Z values and formulae	7234121.cif
218785	2019-09-24	cif/ Adding structures of 7234120, 7234121 via cif-deposit CGI script.	7234121.cif