Crystallography Open Database

Information card for entry 8103126

Preview

Coordinates	8103126.cif

Structure parameters

Chemical name	diaqua-bis(6-hydroxy-3-pyridazinecarboxylic)nickel(II)dihydrate, [Ni(C~5~H~3~N~2~O~3~)~2~(H~2~O)~2~]^.^2H~2~O
Formula	C10 H14 N4 Ni O10
Calculated formula	C10 H14 N4 Ni O10
Title of publication	Crystal structure of diaquabis(6-hydroxy-3-pyridazinecarboxylato)nickel(II) dihydrate, Ni(H2O)2(C5H3N2O3)2 · 2H2O
Authors of publication	Bo Xiao; Xia Zhang; Li-Jun Yang; Yu-Ting Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	23
a	6.2893 ± 0.0008 Å
b	8.3099 ± 0.0012 Å
c	8.4622 ± 0.0012 Å
α	61.47 ± 0.015°
β	81.414 ± 0.011°
γ	80.9 ± 0.012°
Cell volume	382.28 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1588
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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.	8103126.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103126.cif
29080	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103126 via cif-deposit CGI script.	8103126.cif