Crystallography Open Database

Information card for entry 1512861

Preview

Coordinates	1512861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.5 H21 Cu F4 Mo2 N3 O8 P
Calculated formula	C19.5 H10 Cu F4 Mo2 N3 O8 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	9.8943 ± 0.0014 Å
b	16.976 ± 0.002 Å
c	14.81 ± 0.002 Å
α	90°
β	105.29 ± 0.003°
γ	90°
Cell volume	2399.5 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	1512861.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512861.cif
91008	2013-11-22	cif/ Adding structures of 1512861 via cif-deposit CGI script.	1512861.cif