Crystallography Open Database

Information card for entry 8103094

Preview

Coordinates	8103094.cif

Structure parameters

Chemical name	aqua[ o-acetamidobenzoic acid-k2:O:O2] Bis [1,10-phenanthroline -k2:N1:N2]Copper(II) Complex, [Cu(1,10-phen) (C9H8O3N)2]
Formula	C30 H24 Cu N4 O6
Calculated formula	C30 H24 Cu N4 O6
Title of publication	Crystal structure of bis(o-acetamidobenzoato-κ2:O:O2)-(1,10-phenanthroline-κ2:N1:N2)copper(II), Cu(C12H8N2)(C9H8NO3)2
Authors of publication	Xiong-Wen Tan; Changhong Li; Xue Nie; Wei Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	69
a	11.882 ± 0.004 Å
b	11.182 ± 0.003 Å
c	20.282 ± 0.007 Å
α	90°
β	103.871 ± 0.002°
γ	90°
Cell volume	2616.2 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0446
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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.	8103094.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103094.cif
29016	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103094 via cif-deposit CGI script.	8103094.cif