Crystallography Open Database

Information card for entry 7216082

Preview

Coordinates	7216082.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	((Cu(mephenterpy))2V3O6(O3PCH2CH2PO3)(HO3PCH2CH2PO3))
Formula	C48 H43 Cu2 N6 O18 P4 V3
Calculated formula	C48 H43 Cu2 N6 O18 P4 V3
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	13.4729 ± 0.0014 Å
b	14.4371 ± 0.0015 Å
c	14.7309 ± 0.0015 Å
α	76.621 ± 0.002°
β	65.738 ± 0.002°
γ	77.775 ± 0.002°
Cell volume	2519.2 ± 0.5 Å³
Cell temperature	92 ± 2 K
Ambient diffraction temperature	92 ± 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	0.0783
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
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.	7216082.cif
114336	2014-05-23	cif/ Adding structures of 7216081, 7216082, 7216083, 7216084, 7216085 via cif-deposit CGI script.	7216082.cif