Crystallography Open Database

Information card for entry 4506174

Preview

Coordinates	4506174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H49.5 Cu6 N16 O12
Calculated formula	C44.92 H42.24 Cu6 N16 O11.8
Title of publication	New Coordination Polymers and Porous Supramolecular Metal Organic Network Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bypiridine. 1°
Authors of publication	Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Guedes da Silva, M. Fátima C.; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Pombeiro, Armando J. L.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	6
Pages of publication	2890
a	16.33 ± 0.003 Å
b	23.484 ± 0.004 Å
c	14.805 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5677.6 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0982
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4506174.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506174.cif
62165	2012-07-07	cif/ Adding structures of 4506174 via cif-deposit CGI script.	4506174.cif