Crystallography Open Database

Information card for entry 1556906

Preview

Coordinates	1556906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H77 Ag F15 N7 O5 Pt Sb2.5
Calculated formula	C67 H77 Ag F15 N7 O5 Pt Sb2.5
Title of publication	Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour
Authors of publication	Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	7
Pages of publication	1839 - 1847
a	13.0371 ± 0.0005 Å
b	18.3984 ± 0.0008 Å
c	18.4639 ± 0.0008 Å
α	88.81 ± 0.003°
β	89.789 ± 0.003°
γ	83.438 ± 0.003°
Cell volume	4398.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1632
Weighted residual factors for all reflections included in the refinement	0.1722
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257361 (current)	2020-10-06	cif/ Updating files of 1556900, 1556901, 1556902, 1556903, 1556904, 1556905, 1556906 Original log message: Adding full bibliography for 1556900--1556906.cif.	1556906.cif
248893	2020-03-05	cif/ Updating files of 1556900, 1556901, 1556902, 1556903, 1556904, 1556905, 1556906 Original log message: Adding full bibliography for 1556900--1556906.cif.	1556906.cif
246454	2020-01-03	cif/ Adding structures of 1556900, 1556901, 1556902, 1556903, 1556904, 1556905, 1556906 via cif-deposit CGI script.	1556906.cif