Crystallography Open Database

Information card for entry 7020056

7020055 << 7020056 >> 7020057

Preview

Coordinates	7020056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 Cl N2 O2 Sn
Calculated formula	C20 H19 Cl N2 O2 Sn
SMILES	[Sn]1(Cl)[N]2=C(C(C)=C3OC[C@@H](N13)c1ccccc1)OC[C@@H]2c1ccccc1
Title of publication	Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.
Authors of publication	Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	36
Pages of publication	11195 - 11200
a	11.631 ± 0.0013 Å
b	6.7457 ± 0.0008 Å
c	11.9584 ± 0.0013 Å
α	90°
β	96.587 ± 0.001°
γ	90°
Cell volume	932.05 ± 0.18 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179904 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/00.	7020056.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020056.cif
66534	2012-09-11	cif/ Adding structures of 7020056, 7020057, 7020058, 7020059, 7020060, 7020061, 7020062 via cif-deposit CGI script.	7020056.cif