Crystallography Open Database

Information card for entry 4076365

Preview

Coordinates	4076365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H64 N6 Si4 Sn
Calculated formula	C42 H64 N6 Si4 Sn
SMILES	[Sn]12([N](c3ccc(cc3)C)=C(N([Si](C)(C)C)[Si](C)(C)C)N1c1ccc(cc1)C)[N](=C(N([Si](C)(C)C)[Si](C)(C)C)N2c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	Addition of Lappert's Stannylenes to Carbodiimides, Providing a New Class of Tin(II) Guanidinates
Authors of publication	Chlupatý, Tomáš; Padělková, Zdeňka; DeProft, Frank; Willem, Rudolph; Růžička, Aleš
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	6
Pages of publication	2203
a	24.0972 ± 0.0012 Å
b	11.339 ± 0.0007 Å
c	17.701 ± 0.0008 Å
α	90°
β	100.487 ± 0.004°
γ	90°
Cell volume	4755.8 ± 0.4 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	0.0576
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0762
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
178652 (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 4/07/63.	4076365.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076365.cif
51937	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076365, 4076366, 4076367, 4076368, 4076369 via cif-deposit CGI script.	4076365.cif