Crystallography Open Database

Information card for entry 4113686

Preview

Coordinates	4113686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.75 H69.5 Cl1.5 N2 O6 P4 Pt2
Calculated formula	C38.75 H69.5 Cl1.5 N2 O6 P4 Pt2
Title of publication	Coordination-Driven Self-Assembly of Predesigned Supramolecular Triangles
Authors of publication	Yury K. Kryschenko; S. Russell Seidel; 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	5193 - 5198
a	9.2787 ± 0.0001 Å
b	29.8874 ± 0.0004 Å
c	18.4486 ± 0.0003 Å
α	90°
β	104.414 ± 0.0006°
γ	90°
Cell volume	4955.06 ± 0.12 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4113686.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113686.cif
66956	2012-09-18	cif/ Adding structures of 4113686 via cif-deposit CGI script.	4113686.cif