Crystallography Open Database

Information card for entry 4067900

Preview

Coordinates	4067900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 N2 O11 Te2
Calculated formula	C24 H28 N2 O11 Te2
SMILES	c1c2[N]([Te](O[Te]3(O)(=O)(O)[N](c4cccc5cccc3c45)(C)C)(=O)(O)(O)c3c2c(ccc3)cc1)(C)C.O.O.O.O
Title of publication	Synthesis and Structure of an Intramolecularly Coordinated Diaryltelluronic Acid and Its Dimethyl Ester
Authors of publication	Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	1
Pages of publication	289
a	10.808 ± 0.012 Å
b	10.936 ± 0.012 Å
c	12.702 ± 0.011 Å
α	108.88 ± 0.08°
β	90.79 ± 0.08°
γ	95.28 ± 0.09°
Cell volume	1413 ± 3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0523
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	0.932
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
178570 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/79.	4067900.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067900.cif
38027	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4067900, 4067901 via cif-deposit CGI script.	4067900.cif