Crystallography Open Database

Information card for entry 7114852

Preview

Coordinates	7114852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 Cu2 Mo5 N6 O28 P2
Calculated formula	C24 H16 Cu2 Mo5 N6 O28 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	18.3609 ± 0.0001 Å
b	16.0705 ± 0.0001 Å
c	13.4127 ± 0.0009 Å
α	90°
β	102.669 ± 0.0001°
γ	90°
Cell volume	3861.3 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	7114852.cif
118375	2014-06-30	cif/ Adding structures of 7114851, 7114852 via cif-deposit CGI script.	7114852.cif