Crystallography Open Database

Information card for entry 4326350

Preview

Coordinates	4326350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H96 Ge2 N4 Sn
Calculated formula	C75 H96 Ge2 N4 Sn
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	10.576 ± 0.0007 Å
b	14.4601 ± 0.0014 Å
c	23.856 ± 0.002 Å
α	80.329 ± 0.007°
β	86.883 ± 0.007°
γ	70.892 ± 0.007°
Cell volume	3398.3 ± 0.5 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.1237
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.205
Weighted residual factors for all reflections included in the refinement	0.2303
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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.	4326350.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326350.cif
48514	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326350 via cif-deposit CGI script.	4326350.cif