Crystallography Open Database

Information card for entry 7225376

Preview

Coordinates	7225376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 Br Cl F3 N3 O3 Pt S
Calculated formula	C22 H14 Br Cl F3 N3 O3 Pt S
SMILES	[Pt]12(Cl)[n]3c(cccc3)c3cc(cc([n]13)c1cccc[n]21)c1ccc(Br)cc1.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Solid-state and solution photoluminescence of platinum(ii) complexes with 4′-substituted terpyridine ligands ‒ structural, spectroscopic and electrochemical studies
Authors of publication	Maroń, A.; Szlapa, A.; Czerwińska, K.; Małecki, J. G.; Krompiec, S.; Machura, B.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	29
Pages of publication	5528
a	7.4264 ± 0.0004 Å
b	21.7744 ± 0.0014 Å
c	14.5258 ± 0.0008 Å
α	90°
β	102.97 ± 0.005°
γ	90°
Cell volume	2289 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0713
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
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
185265 (current)	2016-08-07	cif/ Updating files of 7225375, 7225376, 7225377 Original log message: Adding full bibliography for 7225375--7225377.cif.	7225376.cif
183162	2016-05-31	cif/ Adding structures of 7225375, 7225376, 7225377 via cif-deposit CGI script.	7225376.cif