Crystallography Open Database

Information card for entry 4071933

4071932 << 4071933 >> 4071934

Preview

Coordinates	4071933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 N4 O3 Sn2
Calculated formula	C36 H50 N4 O3 Sn2
SMILES	C(N(C)C)c1c([Sn](O[Sn](c2c(cccc2)CN(C)C)(O)c2c(cccc2)CN(C)C)(c2c(cccc2)CN(C)C)O)cccc1
Title of publication	Solvent-Controlled Ring Size in Double C,N-Chelated Stannoxanes⊥
Authors of publication	Padělková, Zdeňka; Nechaev, Mikhail S.; Černošek, Zdeněk; Brus, Jiří; Růžička, Aleš
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	20
Pages of publication	5303
a	25.3256 ± 0.0009 Å
b	9.5907 ± 0.0008 Å
c	16.5939 ± 0.0008 Å
α	90°
β	120.24 ± 0.04°
γ	90°
Cell volume	3482 ± 1.5 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
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	0.076
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
178608 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/19.	4071933.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071933.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071933.cif
44133	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071933 via cif-deposit CGI script.	4071933.cif