Crystallography Open Database

Information card for entry 1512858

Preview

Coordinates	1512858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 Cu F3 Mo N3 O6 P
Calculated formula	C17 H15 Cu F3 Mo N3 O6 P
Title of publication	Solid state coordination chemistry: Structural consequences of varying diphosphonate tether length and fluoride incorporation in the copper-bisterpy/oxomolybdenum/organodiphosphonate system (bisterpy = 2,2':4',4":2',2"'-quarterpyridyl-6',6'-di-2-pyridine)
Authors of publication	Stephanie Jones; Jose M. Vargas; Steven Pellizzeri; Charles J. O-Connor; Jon Zubieta
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	395
Pages of publication	44 - 57
a	8.4284 ± 0.0006 Å
b	9.8064 ± 0.0007 Å
c	13.2542 ± 0.001 Å
α	98.206 ± 0.001°
β	93.632 ± 0.001°
γ	112.991 ± 0.001°
Cell volume	989.58 ± 0.12 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1512858.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512858.cif
91005	2013-11-22	cif/ Adding structures of 1512858 via cif-deposit CGI script.	1512858.cif