Crystallography Open Database

Information card for entry 4105354

Preview

Coordinates	4105354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H29 N3 O3 Pt S
Calculated formula	C31 H29 N3 O3 Pt S
SMILES	[Pt]1(c2c(c3[n]1c(ccc3)c1ccccc1)cccc2)([n]1ccc(N(C)C)cc1)OS(=O)(=O)c1ccc(cc1)C
Title of publication	Stimuli-Responsive Reversible Assembly of 2D and 3D Metallosupramolecular Architectures
Authors of publication	Paul J. Lusby; Peter Müller; Sarah J. Pike; Alexandra M. Z. Slawin
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	16398 - 16400
a	28.995 ± 0.006 Å
b	11.188 ± 0.002 Å
c	22.014 ± 0.005 Å
α	90°
β	129.933 ± 0.005°
γ	90°
Cell volume	5476 ± 2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.11
Residual factor for significantly intense reflections	0.0707
Weighted residual factors for significantly intense reflections	0.1651
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
178799 (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 4/10/53.	4105354.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4105354.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4105354.cif
30549	2011-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4105354 via cif-deposit CGI script.	4105354.cif