Crystallography Open Database

Information card for entry 7150788

Preview

Coordinates	7150788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.5 H73.5 Cl4.5 I2 P4 Pt2
Calculated formula	C50 H72 I2 P4 Pt2
Title of publication	Synthesis and X-ray structural analysis of platinum and ethynyl-platinum corannulenes: supramolecular tectons
Authors of publication	Maag, Roman; Northrop, Brian H.; Butterfield, Anna; Linden, Anthony; Zerbe, Oliver; Lee, Young Min; Chi, Ki-Whan; Stang, Peter J.; Siegel, Jay S.
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	23
Pages of publication	4881 - 4885
a	20.7278 ± 0.0002 Å
b	14.8192 ± 0.0001 Å
c	22.0662 ± 0.0002 Å
α	90°
β	115.237 ± 0.0006°
γ	90°
Cell volume	6131.09 ± 0.1 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 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	0.0884
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.2167
Weighted residual factors for all reflections included in the refinement	0.225
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7150788.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150788.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150788.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7150788.cif