Crystallography Open Database

Information card for entry 8103206

Preview

Coordinates	8103206.cif

Structure parameters

Formula	C19 H26 N6 Ni O10 S2
Calculated formula	C19 H26 N6 Ni O10 S2
Title of publication	Crystal structure of triaquatriimidazolenickel(II) naphthalene-2,6-disulfonate monohydrate, [Co(C3H4N2)3(H2O)3][C10H6S2O6] • H2O
Authors of publication	Yonghua Zhang; Ping Liu; Zhiling Feng; Xiaojing Sun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	513
a	8.499 ± 0.002 Å
b	12.759 ± 0.003 Å
c	13.122 ± 0.004 Å
α	96.316 ± 0.004°
β	98.315 ± 0.004°
γ	109.229 ± 0.004°
Cell volume	1310.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103206.cif
176728	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.	8103206.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103206.cif
32548	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103206 via cif-deposit CGI script.	8103206.cif