Crystallography Open Database

Information card for entry 7216091

Preview

Coordinates	7216091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H9 Cu0.5 N O5 P V
Calculated formula	C11 H9 Cu0.5 N O5 P V
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	17.2481 ± 0.0012 Å
b	26.2681 ± 0.0019 Å
c	11.0818 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	5020.9 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	87 ± 2 K
Number of distinct elements	7
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	0.0373
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216091.cif
114338	2014-05-23	cif/ Adding structures of 7216090, 7216091, 7216092, 7216093, 7216094 via cif-deposit CGI script.	7216091.cif