Crystallography Open Database

Information card for entry 8103086

Preview

Coordinates	8103086.cif

Structure parameters

Chemical name	bis[2-((2-aminocyclohexylamino)methyl)benzoato]copper(II) trihydrate
Formula	C28 H44 Cu N4 O7
Calculated formula	C28 H38 Cu N4 O7
Title of publication	Crystal structure of bis[2-((2-aminocyclohexylamino)methyl)benzoato]copper(II) trihydrate, Cu(C14H19N2O2)2 · 3H2O
Authors of publication	Yunde Zhu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	141
a	21.7959 ± 0.0015 Å
b	13.4861 ± 0.0009 Å
c	11.9078 ± 0.0006 Å
α	90°
β	107.474 ± 0.006°
γ	90°
Cell volume	3338.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1301
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103086.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103086.cif
29000	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103086 via cif-deposit CGI script.	8103086.cif