Crystallography Open Database

Information card for entry 7054738

Preview

Coordinates	7054738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H43 Cl Ni O4 P2
Calculated formula	C29 H43 Cl Ni O4 P2
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	8.0299 ± 0.0015 Å
b	27.236 ± 0.005 Å
c	15.128 ± 0.003 Å
α	90°
β	101.306 ± 0.004°
γ	90°
Cell volume	3244.3 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1174
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	0.826
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.	7054738.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.	7054738.cif
134030	2015-03-18	cif/ Adding structures of 7054735, 7054736, 7054737, 7054738 via cif-deposit CGI script.	7054738.cif