Crystallography Open Database

Information card for entry 4001686

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Coordinates	4001686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Cl4 N2 O4 Pt
Calculated formula	C15 H14 Cl4 N2 O4 Pt
SMILES	COC(=O)c1cc[n]2c(c1)c1cc(cc[n]1[Pt]2(Cl)Cl)C(=O)OC.ClCCl
Title of publication	Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys
Authors of publication	Allenbaugh, Rachel J.; Schauer, Cynthia K.; Josey, Amanda; Martin, James D.; Anokhin, Denis V.; Ivanov, Dimitri A.
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	23
Pages of publication	4517
a	17.2723 ± 0.0016 Å
b	6.7511 ± 0.0007 Å
c	17.6663 ± 0.0017 Å
α	90°
β	115.134 ± 0.006°
γ	90°
Cell volume	1865 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
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	0.0487
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for all reflections	0.106
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	0.9072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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