Crystallography Open Database

Information card for entry 8102646

Preview

Coordinates	8102646.cif

Structure parameters

Chemical name	tetraaqua (4,4'-bipyridine)-mononickel—2,3-naphthalenedicarboxylic acid(1:1), {[Ni(C~10~H~8~N~2~)(H~2~O)~4~].C~12~H~6~O~4~}~n~
Formula	C22 H22 N2 Ni O8
Calculated formula	C22 H22 N2 Ni O8
Title of publication	Crystal structure of tetraaqua-(4,4'-bipyridine-k2N,N')nickel(II) 2,3-naphthalenedicarboxylate, [Ni(H2O)4(C10H8N2)][C12H6O4]
Authors of publication	Min Hu; Qiang Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	155
a	9.9148 ± 0.0009 Å
b	10.0079 ± 0.0009 Å
c	22.546 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2237.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0301
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	8102646.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102646.cif
13385	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102646 via cif-deposit CGI script.	8102646.cif