Crystallography Open Database

Information card for entry 4114362

Preview

Coordinates	4114362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H142 Cl6 O8 P8 Pt4
Calculated formula	C86 H142 Cl6 O8 P8 Pt4
SMILES	O=C1/C=C/C(=O)O[Pt]([P](CC)(CC)CC)(c2cccc3cc4cccc(c4cc23)[Pt](OC(=O)/C=C/C(=O)O[Pt](c2cccc3cc4cccc([Pt]([P](CC)(CC)CC)(O1)[P](CC)(CC)CC)c4cc23)([P](CC)(CC)CC)[P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC)[P](CC)(CC)CC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Facile Self-Assembly of Predesigned Neutral 2D Pt-Macrocycles via a New Class of Rigid Oxygen Donor Linkers
Authors of publication	Neeladri Das; Partha Sarathi Mukherjee; Atta M. Arif; Peter J. Stang
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	13950 - 13951
a	16.5367 ± 0.0003 Å
b	14.5788 ± 0.0003 Å
c	22.3754 ± 0.0003 Å
α	90°
β	110.644 ± 0.001°
γ	90°
Cell volume	5047.99 ± 0.16 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.1072
Residual factor for significantly intense reflections	0.0948
Weighted residual factors for significantly intense reflections	0.2684
Weighted residual factors for all reflections included in the refinement	0.2759
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
178914 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/43.	4114362.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114362.cif
67667	2012-10-02	cif/ Adding structures of 4114362 via cif-deposit CGI script.	4114362.cif