Crystallography Open Database

Information card for entry 1514913

Preview

Coordinates	1514913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H19 Cl O3 Sn
Calculated formula	C27 H19 Cl O3 Sn
SMILES	[Sn]1(Cl)([O]=C2C(O1)=C(Oc1c2cccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Selective fluorometric detection of pyrophosphate by 3-hydroxyflavone-diphenyltin(IV) complex in aqueous micellar medium.
Authors of publication	Villamil-Ramos, Raul; Barba, Víctor; Yatsimirsky, Anatoly K.
Journal of publication	The Analyst
Year of publication	2012
Journal volume	137
Journal issue	22
Pages of publication	5229 - 5236
a	9.582 ± 0.004 Å
b	10.189 ± 0.005 Å
c	12.743 ± 0.006 Å
α	80.315 ± 0.007°
β	81.682 ± 0.007°
γ	72.174 ± 0.007°
Cell volume	1161.7 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1215
Residual factor for significantly intense reflections	0.0999
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.186
Goodness-of-fit parameter for all reflections included in the refinement	1.366
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514913.cif
110777	2014-04-20	cif/ Adding structures of 1514913 via cif-deposit CGI script.	1514913.cif