Crystallography Open Database

Information card for entry 4326356

Preview

Coordinates	4326356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H66 Li2 N4 O6 Si2
Calculated formula	C36 H66 Li2 N4 O6 Si2
SMILES	c1(c(cccc1)C[N]1(C)C)N([Si](C)(C)C)[Li]1([O]1CCOCC1)[O]1CC[O](CC1)[Li]1(N([Si](C)(C)C)c2c(cccc2)C[N]1(C)C)[O]1CCOCC1
Title of publication	Tetrylenes Chelated by Hybrid Amido-Amino Ligand: Derivatives of 2-[(N,N-Dimethylamino)methyl]aniline
Authors of publication	Hana Vaňkátová; Lies Broeckaert; Frank De Proft; Roman Olejník; Jan Turek; Zdeňka Padělková; Aleš Růžička
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9454 - 9464
a	9.667 ± 0.0005 Å
b	14.081 ± 0.0005 Å
c	16.6901 ± 0.0014 Å
α	90°
β	115.567 ± 0.007°
γ	90°
Cell volume	2049.4 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
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	0.1146
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
179366 (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 4/32/63.	4326356.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326356.cif
48520	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326356 via cif-deposit CGI script.	4326356.cif