Crystallography Open Database

Information card for entry 4339781

Preview

Coordinates	4339781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 Cu2 N10 O12
Calculated formula	C17 H16 Cu2 N10 O12
SMILES	[Cu]123([OH][Cu]45[n]6c(C=[N]5NC(=O)c5[n]4n3c(C(=O)N[N]2=Cc2[n]1cccc2)c5)cccc6)ON(=O)=O.O=N(=O)[O-].O.O.O
Title of publication	Supramolecular self-assembled polynuclear complexes from tritopic, tetratopic, and pentatopic ligands: structural, magnetic and surface studies.
Authors of publication	Dey, Subrata K.; Abedin, Tareque S. M.; Dawe, Louise N.; Tandon, Santokh S.; Collins, Julie L.; Thompson, Laurence K.; Postnikov, Andrei V.; Alam, Mohammad S.; Müller, Paul
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7767 - 7781
a	25.238 ± 0.003 Å
b	13.5859 ± 0.0016 Å
c	14.2674 ± 0.0017 Å
α	90°
β	93.864 ± 0.003°
γ	90°
Cell volume	4880.9 ± 1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
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	0.0559
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1393
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339781.cif
117536	2014-06-15	cif/ Adding structures of 4339779, 4339780, 4339781, 4339782, 4339783, 4339784, 4339785, 4339786 via cif-deposit CGI script.	4339781.cif