Crystallography Open Database

Information card for entry 2238960

Preview

Coordinates	2238960.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(aquatrichloroacetatotriphenyltin).(1,10-phenanthroline)
Formula	C32 H25 Cl3 N2 O3 Sn
Calculated formula	C32 H25 Cl3 N2 O3 Sn
SMILES	c1ccc2c(n1)c1ncccc1cc2.O=C(C(Cl)(Cl)Cl)O[Sn](c1ccccc1)(c1ccccc1)(c1ccccc1)[OH2]
Title of publication	Aquatrichloroacetatotriphenyltin‒1,10-phenanthroline (2/2)
Authors of publication	Chee, Chin Fei; Lo, Kong Mun; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E Structure Reports Online
Year of publication	2003
Journal volume	59
Journal issue	8
Pages of publication	m642
a	9.1542 ± 0.0006 Å
b	12.2739 ± 0.0007 Å
c	14.4308 ± 0.0009 Å
α	67.559 ± 0.001°
β	86.347 ± 0.001°
γ	89.49 ± 0.001°
Cell volume	1495.37 ± 0.16 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176958 (current)	2016-02-25	cif/2/ Marking entry 2202338 as duplicate of 2238960.	2238960.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238960.cif
129076	2014-12-26	Fixing formulae and Z values for several entries	2238960.cif
96686	2014-01-29	cif/ Adding structures of 2238960 via cif-deposit CGI script.	2238960.cif