Crystallography Open Database

Information card for entry 4105353

Preview

Coordinates	4105353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 Cl3 N3 Pt
Calculated formula	C25 H22 Cl3 N3 Pt
SMILES	[Pt]12(c3c(c4[n]1c(ccc4)c1c2cccc1)cccc3)[n]1ccc(N(C)C)cc1.C(Cl)(Cl)Cl
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	9.0828 ± 0.0018 Å
b	20.691 ± 0.004 Å
c	25.599 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4810.9 ± 1.6 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.162
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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