Crystallography Open Database

Information card for entry 2238812

Preview

Coordinates	2238812.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tris(cyclohexylammonium) <i>cis</i>-dichloridobis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV) chloride monohydrate
Formula	C22 H44 Cl3 N3 O9 Sn
Calculated formula	C22 H44 Cl3 N3 O9 Sn
SMILES	[Sn]12(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)(Cl)Cl.[NH3+]C1CCCCC1.[NH3+]C1CCCCC1.[NH3+]C1CCCCC1.[Cl-].O
Title of publication	Tris(cyclohexylammonium) <i>cis</i>-dichloridobis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV) chloride monohydrate
Authors of publication	Sarr, Modou; Diallo, Waly; Diasse-Sarr, Aminata; Plasseraud, Laurent; Cattey, Hélène
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m581 - m582
a	27.9894 ± 0.001 Å
b	12.3088 ± 0.0005 Å
c	19.3457 ± 0.0007 Å
α	90°
β	105.542 ± 0.001°
γ	90°
Cell volume	6421.2 ± 0.4 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.223
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
176798 (current)	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.	2238812.cif
91231	2013-12-09	cif/ Adding structures of 2238812 via cif-deposit CGI script.	2238812.cif