Crystallography Open Database

Information card for entry 4106556

Preview

Coordinates	4106556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 N O2 Pt S3
Calculated formula	C27 H27 N O2 Pt S3
SMILES	c1c(ccc2c3c([Pt]4([n]12)OC(=CC(=[O]4)C)C)c(c(c1c(C)sc(c1)C)s3)c1c(C)sc(c1)C)C
Title of publication	Diarylethene-Containing Cyclometalated Platinum(II) Complexes: Tunable Photochromism via Metal Coordination and Rational Ligand Design
Authors of publication	Jacky Chi-Hung Chan; Wai Han Lam; Hok-Lai Wong; Nianyong Zhu; Wing-Tak Wong; Vivian Wing-Wah Yam
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12690 - 12705
a	8.412 ± 0.0007 Å
b	9.606 ± 0.0007 Å
c	16.498 ± 0.0013 Å
α	90.585 ± 0.01°
β	92.948 ± 0.01°
γ	91.306 ± 0.01°
Cell volume	1330.94 ± 0.18 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.021
Residual factor for significantly intense reflections	0.0189
Weighted residual factors for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.0484
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
178811 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/65.	4106556.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106556.cif
53358	2012-04-19	cif/ Adding structures of 4106556 via cif-deposit CGI script.	4106556.cif