Crystallography Open Database

Information card for entry 7216093

Preview

Coordinates	7216093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H12 Cu2 N O8 P2
Calculated formula	C11 H12 Cu2 N O8 P2
Title of publication	Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety
Authors of publication	Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon
Journal of publication	CrystEngComm
Year of publication	2005
Journal volume	7
Journal issue	80
Pages of publication	480
a	20.7505 ± 0.001 Å
b	45.726 ± 0.002 Å
c	6.0304 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5721.9 ± 0.5 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0727
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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.	7216093.cif
114338	2014-05-23	cif/ Adding structures of 7216090, 7216091, 7216092, 7216093, 7216094 via cif-deposit CGI script.	7216093.cif