Crystallography Open Database

Information card for entry 7026357

Preview

Coordinates	7026357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 Cu N10 O8
Calculated formula	C10 H12 Cu N10 O8
SMILES	[Cu]12(ON(=O)=O)([n]3cccnc3C(=[N]1O)N)[n]1cccnc1C(=[N]2O)N.O=N(=O)[O-]
Title of publication	Use of 2-pyrimidineamidoxime to generate polynuclear homo-/heterometallic assemblies: synthesis, crystal structures and magnetic study with theoretical investigations on the exchange mechanism.
Authors of publication	Gole, Bappaditya; Chakrabarty, Rajesh; Mukherjee, Sandip; Song, You; Mukherjee, Partha Sarathi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	41
Pages of publication	9766 - 9778
a	7.0434 ± 0.0002 Å
b	8.7481 ± 0.0003 Å
c	13.6485 ± 0.0004 Å
α	98.392 ± 0.002°
β	92.024 ± 0.002°
γ	97.262 ± 0.001°
Cell volume	824.05 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179969 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/63.	7026357.cif
93473	2014-01-13	cif/ Adding structures of 7026357, 7026358, 7026359 via cif-deposit CGI script.	7026357.cif