Crystallography Open Database

Information card for entry 7114851

Preview

Coordinates	7114851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Cu2 Mo5 N6 O27 P2
Calculated formula	C24 H24 Cu2 Mo5 N6 O27 P2
Title of publication	Solid state coordination chemistry: construction of 2D networks and 3D frameworks from phosphomolybdate clusters and binuclear Cu(ii) complexes. The syntheses and structures of [{Cu2(tpypyz)(H2O)2}(Mo5 O15)(HOPO3)2]·nH 2O [n = 2, 3; tpypyz = tetra(2-pyridyl)pyrazine]
Authors of publication	Burkholder, Eric; Zubieta, Jon
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	20
Pages of publication	2056
a	11.0736 ± 0.0005 Å
b	11.0775 ± 0.0005 Å
c	17.7972 ± 0.0008 Å
α	85.178 ± 0.001°
β	79.964 ± 0.001°
γ	68.271 ± 0.001°
Cell volume	1996.53 ± 0.16 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	293 ± 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	0.031
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
180262 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/48.	7114851.cif
118375	2014-06-30	cif/ Adding structures of 7114851, 7114852 via cif-deposit CGI script.	7114851.cif