Crystallography Open Database

Information card for entry 4326352

Preview

Coordinates	4326352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 N8 Sn4
Calculated formula	C36 H48 N8 Sn4
SMILES	c12c(cccc1)C[N](C)(C)[Sn]13[N]42[Sn]25[N]67c8c(cccc8)C[N](C)(C)[Sn]7([N]12c1c(cccc1)C[N]5(C)C)[N]13c2c(cccc2)C[N](C)(C)[Sn]461
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	14.043 ± 0.0009 Å
b	14.043 ± 0.0008 Å
c	9.6569 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1904.4 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0427
Weighted residual factors for all reflections included in the refinement	0.0453
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	4326352.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326352.cif
48516	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326352 via cif-deposit CGI script.	4326352.cif