Crystallography Open Database

Information card for entry 8102671

Preview

Coordinates	8102671.cif

Structure parameters

Chemical name	triaqua-(4,4'-azopyridine-<i>κ</i>^2^N,N') cobalt (II) 2,3-naphthalenedicarboxylate monohydrate, [Co(C~12~O~4~H~6~) (C~10~N~4~H~8~) (H~2~O)~3~] [H~2~O]
Formula	C22 H22 Co N4 O8
Calculated formula	C22 H22 Co N4 O8
Title of publication	Crystal structure of triaqua(4,4'-azopyridine-k2N,N')-(2,3-naphthalenedicarboxylato)cobalt(II) monohydrate, Co(H2O)3(C12O4H6)(C10N4H8) · H2O
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	267
a	8.21 ± 0.0003 Å
b	10.62 ± 0.0003 Å
c	25.4621 ± 0.0007 Å
α	90°
β	90.618 ± 0.002°
γ	90°
Cell volume	2219.92 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	8102671.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102671.cif
13410	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102671 via cif-deposit CGI script.	8102671.cif