Crystallography Open Database

Information card for entry 1512803

Preview

Coordinates	1512803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H44 N6 Ni2 O2 P2 S2
Calculated formula	C45 H44 N6 Ni2 O2 P2 S2
Title of publication	Metal derivatives of N1-substituted thiosemicarbazones: Synthesis, structures and spectroscopy of nickel(II) and cobalt(III) complexes
Authors of publication	Tarlok S. Lobana; Poonam Kumari; Geeta Hundal; Ray J. Butcher; A. Castineiras; Takashiro Akitsu
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	605 - 615
a	19.444 ± 0.002 Å
b	8.8288 ± 0.001 Å
c	24.684 ± 0.003 Å
α	90°
β	95.098 ± 0.002°
γ	90°
Cell volume	4220.7 ± 0.8 Å³
Cell temperature	128 K
Ambient diffraction temperature	128 K
Number of distinct elements	7
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	0.0428
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	0.829
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
176729 (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 1.	1512803.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512803.cif
90888	2013-11-20	cif/ Adding structures of 1512803 via cif-deposit CGI script.	1512803.cif