Crystallography Open Database

Information card for entry 7054744

Preview

Coordinates	7054744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 N3 O7 V
Calculated formula	C14 H16 N3 O7 V
Title of publication	Influence of noncovalent interactions on the structures of metal‒organic hybrids based on a [VO2(2,6-pydc)]−tecton with cations of imidazole, pyridine and its derivatives
Authors of publication	Koleša-Dobravc, Tanja; Meden, Anton; Perdih, Franc
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	6
Pages of publication	4265
a	8.1715 ± 0.0001 Å
b	29.4539 ± 0.0005 Å
c	6.6398 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1598.08 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180101 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/47.	7054744.cif
138779	2015-06-07	cif/ Updating files of 7054735, 7054736, 7054737, 7054738, 7054739, 7054740, 7054741, 7054742, 7054743, 7054744, 7054745 Original log message: Adding full bibliography for 7054735--7054745.cif.	7054744.cif
134031	2015-03-18	cif/ Adding structures of 7054739, 7054740, 7054741, 7054742, 7054743, 7054744, 7054745 via cif-deposit CGI script.	7054744.cif