Crystallography Open Database

Information card for entry 7115894

Preview

Coordinates	7115894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 Cl N3 O11 Pt S
Calculated formula	C21 H22 Cl N3 O11 Pt S
SMILES	[Pt]12(S[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[n]3ccccc3c3[n]1c(c1[n]2cccc1)ccc3.Cl(=O)(=O)(=O)[O-].O.O
Title of publication	Counteranion-dependent mechanochromism of a photoluminescent platinum(II) complex with mixed terpyridine and thioglucose
Authors of publication	Naoki Kitani; Naoto Kuwamura; Toshiaki Tsukuda; Nobuto Yoshinari; Takumi Konno
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	13529
a	4.9262 ± 0.0011 Å
b	38.578 ± 0.009 Å
c	13.082 ± 0.004 Å
α	90°
β	94.038 ± 0.008°
γ	90°
Cell volume	2480 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.2182
Residual factor for significantly intense reflections	0.1332
Weighted residual factors for significantly intense reflections	0.2876
Weighted residual factors for all reflections included in the refinement	0.3226
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180272 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/58.	7115894.cif
127991	2014-11-28	cif/ Adding structures of 7115894, 7115895 via cif-deposit CGI script.	7115894.cif