Crystallography Open Database

Information card for entry 8102576

Preview

Coordinates	8102576.cif

Structure parameters

Formula	C16 H18 N8 Ni O8 S2
Calculated formula	C16 H18 N8 Ni O8 S2
Title of publication	Crystal structure of bis[1-(2-hydroxybenzylidene)thiosemicarbazido]nickel(II) dinitrate, [Ni(C8H9N3OS)2](NO3)2
Authors of publication	Yu-Ting Wang; Hui-Ling Li; Jian-Ge Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	79
a	17.964 ± 0.002 Å
b	9.8343 ± 0.0011 Å
c	14.1222 ± 0.0016 Å
α	90°
β	110.582 ± 0.001°
γ	90°
Cell volume	2335.6 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0701
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	8102576.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.	8102576.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102576.cif
13315	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102576 via cif-deposit CGI script.	8102576.cif