Crystallography Open Database

Information card for entry 4314676

Preview

Coordinates	4314676.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(bis((8-benzyloxyquinolin-2-yl)methylene)-rac-1,2-cyclohexanediamine) -di-copper(I) diperchlorate hydrate
Formula	C80 H74 Cl2 Cu2 N8 O13
Calculated formula	C80 H72 Cl2 Cu2 N8 O13
Title of publication	Octahedral Copper(II) and Tetrahedral Copper(I) Double-Strand Helicates: Chiral Self-Recognition and Redox Behavior
Authors of publication	Valeria Amendola; Massimo Boiocchi; Valentina Brega; Luigi Fabbrizzi; Lorenzo Mosca
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	997 - 1007
a	14.02 ± 0.005 Å
b	12.51 ± 0.005 Å
c	22.794 ± 0.005 Å
α	90°
β	103.53 ± 0.005°
γ	90°
Cell volume	3887 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.2558
Residual factor for significantly intense reflections	0.1064
Weighted residual factors for significantly intense reflections	0.2667
Weighted residual factors for all reflections included in the refinement	0.3553
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
179224 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/46.	4314676.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314676.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314676.cif
7819	2011-02-02	../uploads/cif-deposit/cod/cif Adding structures of 4314676 via cif-deposit CGI script.	4314676.cif