Crystallography Open Database

Information card for entry 7113589

Preview

Coordinates	7113589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H46 Cl2 F6 O6 P4 S2
Calculated formula	C53 H46 Cl2 F6 O6 P4 S2
Title of publication	Homoatomic P → P coordination: A versatile synthetic approach to polyphosphorus dications
Authors of publication	Burford, Neil; Ragogna, Paul J.; McDonald, Robert; Ferguson, Michael J.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	16
Pages of publication	2066 - 2067
a	9.3972 ± 0.0008 Å
b	12.8629 ± 0.0012 Å
c	13.6679 ± 0.0012 Å
α	119.801 ± 0.0016°
β	95.7002 ± 0.0017°
γ	104.239 ± 0.0018°
Cell volume	1340.5 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103836
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
209759 (current)	2018-08-16	cif/7/ Updating bibliography in entries 7103836-7103838, 7113589-7113591. Marking entries 7113589-7113591 as duplicates of entries 7103836-7103838.	7113589.cif
180249	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35.	7113589.cif
115147	2014-06-02	cif/ Adding structures of 7113589, 7113590, 7113591 via cif-deposit CGI script.	7113589.cif