Crystallography Open Database

Information card for entry 7028605

Preview

Coordinates	7028605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 F6 N2 O P2 Pt Tl
Calculated formula	C31 H27 F6 N2 O P2 Pt Tl
SMILES	C[Pt]12(c3cccc4ccc5ccc[n]1c5c34)[P](c1cccc[n]1[Tl]2[OH2])(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Cyclometalated heteronuclear Pt/Ag and Pt/Tl complexes: a structural and photophysical study.
Authors of publication	Jamali, Sirous; Ghazfar, Reza; Lalinde, Elena; Jamshidi, Zahra; Samouei, Hamidreza; Shahsavari, Hamid R.; Moreno, M. Teresa; Escudero-Adán, Eduardo; Benet-Buchholz, Jordi; Milic, Dalibor
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	3
Pages of publication	1105 - 1116
a	9.1552 ± 0.0003 Å
b	13.285 ± 0.0005 Å
c	14.9645 ± 0.0006 Å
α	109.037 ± 0.003°
β	101.241 ± 0.003°
γ	108.052 ± 0.003°
Cell volume	1544.58 ± 0.12 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.042
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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
179992 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/86.	7028605.cif
105373	2014-03-12	cif/ Adding structures of 7028604, 7028605 via cif-deposit CGI script.	7028605.cif