Crystallography Open Database

Information card for entry 1512853

Preview

Coordinates	1512853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H39 Cu2 Mo5 N6 O26.5 P2
Calculated formula	C34 H37 Cu2 Mo5 N6 O26.5 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	10.4478 ± 0.0016 Å
b	15.021 ± 0.002 Å
c	15.994 ± 0.002 Å
α	100.314 ± 0.003°
β	104.841 ± 0.003°
γ	90.885 ± 0.003°
Cell volume	2382.1 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0225
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	0.763
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.	1512853.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512853.cif
91000	2013-11-22	cif/ Adding structures of 1512853 via cif-deposit CGI script.	1512853.cif