Crystallography Open Database

Information card for entry 4324535

Preview

Coordinates	4324535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 N2 O4 Sn
Calculated formula	C36 H50 N2 O4 Sn
SMILES	[Sn]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)OC(=O)/C=C\C(=O)OC(C)C
Title of publication	Activation of Carbon Dioxide by Divalent Tin Alkoxides Complexes
Authors of publication	Lorenzo Ferro; Peter B. Hitchcock; Martyn P. Coles; Hazel Cox; J. Robin Fulton
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1879 - 1888
a	14.7295 ± 0.0003 Å
b	16.2188 ± 0.0002 Å
c	17.6171 ± 0.0002 Å
α	110.624 ± 0.001°
β	99.628 ± 0.001°
γ	108.961 ± 0.001°
Cell volume	3531.49 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation probe	x-ray
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
179348 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/45.	4324535.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324535.cif
41243	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324535 via cif-deposit CGI script.	4324535.cif