Crystallography Open Database

Information card for entry 1545771

Preview

Coordinates	1545771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H83 Cl0 F0 N6 O0 P Pt2 S
Calculated formula	C72 H83 N6 P Pt2 S
SMILES	[Pt]12([n]3ccc(cc3c3cc(cc([n]13)c1cc(cc[n]21)C(C)(C)C)C(C)(C)C)C(C)(C)C)C#CC1=C2CCCCC2=C(P1(=S)c1ccccc1)C#C[Pt]12[n]3ccc(cc3c3cc(cc([n]13)c1cc(cc[n]21)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Supramolecular assembly of a phosphole-based moiety into nanostructures dictated by alkynylplatinum(ii) terpyridine complexes through non-covalent Pt⋯Pt and π‒π stacking interactions: synthesis, characterization, photophysics and self-assembly behaviors
Authors of publication	Leung, Sammual Yu-Lut; Evariste, Sloane; Lescop, Christophe; Hissler, Muriel; Yam, Vivian Wing-Wah
Journal of publication	Chem. Sci.
Year of publication	2017
a	13.7722 ± 0.0006 Å
b	39.9563 ± 0.0016 Å
c	17.7098 ± 0.0007 Å
α	90°
β	97.536 ± 0.003°
γ	90°
Cell volume	9661.3 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
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	0.1478
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2031
Weighted residual factors for all reflections included in the refinement	0.2237
Goodness-of-fit parameter for all reflections included in the refinement	0.893
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
195606 (current)	2017-04-20	cif/ Adding structures of 1545771 via cif-deposit CGI script.	1545771.cif