Crystallography Open Database

Information card for entry 4068595

Preview

Coordinates	4068595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H23 Cl3 N P Pt S
Calculated formula	C28 H23 Cl3 N P Pt S
SMILES	s1c2c3[n](cccc3)[Pt](c2cc1)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
Title of publication	Synthesis, Structures, and Photoluminescent Properties of Cyclometalated Platinum(II) Complexes bearing Upper-Rim Phosphinated Calix[4]arenes
Authors of publication	Lai, Siu-Wai; Chan, Queenie K.-W.; Han, Jie; Zhi, Yong-Gang; Zhu, Nianyong; Che, Chi-Ming
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	1
Pages of publication	34
a	9.681 ± 0.0019 Å
b	17.426 ± 0.004 Å
c	16.268 ± 0.003 Å
α	90°
β	98.74 ± 0.03°
γ	90°
Cell volume	2712.6 ± 1 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	7
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	0.0457
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
178575 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/85.	4068595.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068595.cif
39892	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068593, 4068594, 4068595 via cif-deposit CGI script.	4068595.cif