Crystallography Open Database

Information card for entry 4334896

Preview

Coordinates	4334896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H85 F6 N9 O6 Pt2 S5
Calculated formula	C78 H85 F6 N9 O6 Pt2 S5
Title of publication	A Terthiophene-Containing Alkynylplatinum Terpyridine Pacman Complex: Controllable Folding/Unfolding Modulated by Weak Intermolecular Interactions
Authors of publication	Yang Cao; Michael O. Wolf; Brian O. Patrick
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5636 - 5638
a	17.5562 ± 0.0019 Å
b	17.5562 ± 0.0019 Å
c	21.389 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	5709.3 ± 1.2 Å³
Cell temperature	90 ± 0.1 K
Ambient diffraction temperature	90 ± 0.1 K
Number of distinct elements	7
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
179451 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/48.	4334896.cif
100780	2014-02-07	cif/ Adding structures of 4334896 via cif-deposit CGI script.	4334896.cif