Crystallography Open Database

Information card for entry 7005894

Preview

Coordinates	7005894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H49 N3 Sn
Calculated formula	C31 H49 N3 Sn
SMILES	[Sn]1([N](=C(N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)N(C)C
Title of publication	Tert-butylamidinate tin(ii) complexes: high activity, single-site initiators for the controlled production of polylactide.
Authors of publication	Nimitsiriwat, Nonsee; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Dale, Sophie H.; Elsegood, Mark R. J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	39
Pages of publication	4464 - 4471
a	10.0495 ± 0.0009 Å
b	11.0334 ± 0.001 Å
c	15.5989 ± 0.0014 Å
α	99.131 ± 0.002°
β	107.283 ± 0.002°
γ	106.213 ± 0.002°
Cell volume	1529.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0331
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
179762 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/58.	7005894.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005894.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005894.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005894.cif