Crystallography Open Database

Information card for entry 4325863

Preview

Coordinates	4325863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 Cu2 N7 O S3
Calculated formula	C27 H25 Cu2 N7 O S3
Title of publication	Heterobridged Dinuclear, Tetranuclear, Dinuclear-Based 1-D, and Heptanuclear-Based 1-D Complexes of Copper(II) Derived from a Dinucleating Ligand: Syntheses, Structures, Magnetochemistry, Spectroscopy, and Catecholase Activity
Authors of publication	Samit Majumder; Sohini Sarkar; Sujit Sasmal; E. Carolina Sañudo; Sasankasekhar Mohanta
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7540 - 7554
a	12.4131 ± 0.0004 Å
b	26.1746 ± 0.0008 Å
c	8.7937 ± 0.0003 Å
α	90°
β	91.777 ± 0.001°
γ	90°
Cell volume	2855.77 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0494
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
179361 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58.	4325863.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325863.cif
46899	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325863 via cif-deposit CGI script.	4325863.cif