Crystallography Open Database

Information card for entry 4068594

Preview

Coordinates	4068594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H84 Cl2 N4 O12 P2 Pt2 S2
Calculated formula	C102 H84 Cl2 N4 O12 P2 Pt2 S2
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	15.885 ± 0.003 Å
b	25.498 ± 0.005 Å
c	26.49 ± 0.005 Å
α	90°
β	104.78 ± 0.03°
γ	90°
Cell volume	10374 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1046
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1678
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
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.	4068594.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068594.cif
39892	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068593, 4068594, 4068595 via cif-deposit CGI script.	4068594.cif