Crystallography Open Database

Information card for entry 4501366

Preview

Coordinates	4501366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Br2 Cu N8 O6
Calculated formula	C40 Br2 Cu N8 O6
Title of publication	Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands
Authors of publication	Banerjee, Subhabrata; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5592
a	13.0842 ± 0.0011 Å
b	13.0842 ± 0.0011 Å
c	19.878 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	2947.1 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2137
Weighted residual factors for all reflections included in the refinement	0.2216
Goodness-of-fit parameter for all reflections included in the refinement	1.736
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
179544 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/13.	4501366.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501366.cif
34877	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4501366 via cif-deposit CGI script.	4501366.cif