Crystallography Open Database

Information card for entry 8102706

Preview

Coordinates	8102706.cif

Structure parameters

Chemical name	tetraaqua-(4,4'-bipyridine-<i>κ</i>^2^<i>N,N</i>')Copper(II) 2,3-naphthalenedicarboxylate, [Cu(H~2~O)~4~(C~10~H~8~N~2~)][C~12~H~6~O~4~]
Formula	C22 H22 Cu N2 O8
Calculated formula	C22 H22 Cu N2 O8
Title of publication	Crystal structure of tetraaqua(4,4'-bipyridine-k2N,N')copper(II) 2,3-naphthalenedicarboxylate, [Cu(H2O)4(C10H8N2)][C12H6O4]
Authors of publication	Chun-Sen Liu; Min Hu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	351
a	9.8228 ± 0.0003 Å
b	10.1176 ± 0.0004 Å
c	22.2471 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2210.99 ± 0.13 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0618
Goodness-of-fit parameter for all reflections included in the refinement	0.876
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.	8102706.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102706.cif
13445	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102706 via cif-deposit CGI script.	8102706.cif