Crystallography Open Database

Information card for entry 4068694

Preview

Coordinates	4068694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H31 N2 O3 Sn
Calculated formula	C21 H31 N2 O3 Sn
Title of publication	Reactivity of a C,N-Chelated Stannoxane†
Authors of publication	Padělková, Zdeňka; Vaňkátová, Hana; Císařová, Ivana; Nechaev, Mikhail S.; Zevaco, Thomas A.; Walter, Olaf; Růžička, Aleš
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	8
Pages of publication	2629
a	8.919 ± 0.0008 Å
b	17.272 ± 0.002 Å
c	15.804 ± 0.0005 Å
α	90 ± 0.006°
β	120.167 ± 0.007°
γ	90 ± 0.012°
Cell volume	2104.9 ± 0.3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.0641
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
178576 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/86.	4068694.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068694.cif
39931	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068691, 4068692, 4068693, 4068694 via cif-deposit CGI script.	4068694.cif