Crystallography Open Database

Information card for entry 7216057

Preview

Coordinates	7216057.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4,4'-bipyridin-1,1'-ium bis(1,1'-binaphthalene-2,2'-diyl phosphate).2.5H2O
Formula	C50 H39 N2 O10.5 P2
Calculated formula	C50 H39 N2 O10.5 P2
Title of publication	Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions
Authors of publication	Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	106
Pages of publication	633
a	19.004 ± 0.016 Å
b	12.519 ± 0.011 Å
c	19.141 ± 0.018 Å
α	90°
β	110.093 ± 0.017°
γ	90°
Cell volume	4277 ± 7 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
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	0.0609
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	0.933
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
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.	7216057.cif
114326	2014-05-23	cif/ Adding structures of 7216056, 7216057, 7216058, 7216059, 7216060 via cif-deposit CGI script.	7216057.cif