Crystallography Open Database

Information card for entry 1512857

Preview

Coordinates	1512857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H26 Cu2 F6 Mo4 N6 O15 P2
Calculated formula	C33 H20 Cu2 F6 Mo4 N6 O15 P2
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	9.3474 ± 0.0006 Å
b	9.9968 ± 0.0006 Å
c	11.2297 ± 0.0007 Å
α	84.626 ± 0.001°
β	70.064 ± 0.001°
γ	83.678 ± 0.001°
Cell volume	978.7 ± 0.11 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	0.0271
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	0.78
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1512857.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512857.cif
91004	2013-11-22	cif/ Adding structures of 1512857 via cif-deposit CGI script.	1512857.cif