Crystallography Open Database

Information card for entry 7020058

7020057 << 7020058 >> 7020059

Preview

Coordinates	7020058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 F6 N4 O12 S2 Sn2
Calculated formula	C50 H54 F6 N4 O12 S2 Sn2
SMILES	[Sn]1(N2C(=C(C)C3=[N]1[C@H](CO3)c1ccccc1)OC[C@@H]2c1ccccc1)([O]1CCCC1)OS(=[O][Sn]1(N2C(=C(C)C3=[N]1[C@H](CO3)c1ccccc1)OC[C@@H]2c1ccccc1)[O]1CCCC1)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
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	15.106 ± 0.004 Å
b	15.498 ± 0.004 Å
c	22.757 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	5328 ± 2 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.1776
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	7020058.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020058.cif
66534	2012-09-11	cif/ Adding structures of 7020056, 7020057, 7020058, 7020059, 7020060, 7020061, 7020062 via cif-deposit CGI script.	7020058.cif