Crystallography Open Database

Information card for entry 7216081

Preview

Coordinates	7216081.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	((Cu(mephenterpy))VO2(HO3PCH2CH2PO3))
Chemical name	[{Cu(mephenterpy)}VO2(HO3PCH2CH2PO3)]
Formula	C24 H22 Cu N3 O8 P2 V
Calculated formula	C24 H22 Cu N3 O8 P2 V
Title of publication	Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)
Authors of publication	Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	117
Pages of publication	711
a	9.2777 ± 0.0011 Å
b	9.9706 ± 0.0012 Å
c	13.3237 ± 0.0016 Å
α	79.104 ± 0.002°
β	83.541 ± 0.002°
γ	86.798 ± 0.002°
Cell volume	1201.8 ± 0.2 Å³
Cell temperature	97 ± 2 K
Ambient diffraction temperature	97 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1793
Weighted residual factors for all reflections included in the refinement	0.1872
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
180491 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/60.	7216081.cif
114336	2014-05-23	cif/ Adding structures of 7216081, 7216082, 7216083, 7216084, 7216085 via cif-deposit CGI script.	7216081.cif