Crystallography Open Database

Information card for entry 4112494

Preview

Coordinates	4112494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H68 Cl2 N12 O4 Pt
Calculated formula	C56 H68 Cl2 N12 O4 Pt
Title of publication	Metal-Organic Anion Receptors: Arranging Urea Hydrogen-Bond Donors to Encapsulate Sulfate Ions
Authors of publication	Chantelle R. Bondy; Philip A. Gale; Stephen J. Loeb
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	5030 - 5031
a	20.029 ± 0.005 Å
b	21.508 ± 0.005 Å
c	21.244 ± 0.005 Å
α	90°
β	100.491 ± 0.006°
γ	90°
Cell volume	8999 ± 4 Å³
Cell temperature	173.5 ± 0.1 K
Ambient diffraction temperature	173.5 ± 0.2 K
Number of distinct elements	6
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	0.1214
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.1784
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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.	4112494.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112494.cif
64885	2012-08-30	cif/ Adding structures of 4112494 via cif-deposit CGI script.	4112494.cif