Crystallography Open Database

Information card for entry 4501174

Preview

Coordinates	4501174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 N2 O10 Te2 V2
Calculated formula	C6 H16 N2 O10 Te2 V2
Title of publication	Beyond Charge Density Matching: The Role of C‒H···O Interactions in the Formation of Templated Vanadium Tellurites
Authors of publication	Smith, Matthew D.; Blau, Samuel M.; Chang, Kelvin B.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	9
Pages of publication	4213
a	6.7486 ± 0.0017 Å
b	7.1572 ± 0.0018 Å
c	8.687 ± 0.002 Å
α	69.818 ± 0.003°
β	80.019 ± 0.003°
γ	85.524 ± 0.003°
Cell volume	387.79 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0229
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for all reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0429
Goodness-of-fit parameter for all reflections included in the refinement	1.0047
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
179542 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/11.	4501174.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501174.cif
34793	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501174, 4501175 via cif-deposit CGI script.	4501174.cif