Crystallography Open Database

Information card for entry 7029314

Preview

Coordinates	7029314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Ga N16 S2
Calculated formula	C26 H26 Ga N16 S2
SMILES	c1cncc2C(C)=[N]3N=C(S[Ga]453([n]12)[n]1ccncc1C(C)=[N]4N=C(S5)N/N=C(\C)c1nccnc1)N/N=C(\C)c1nccnc1
Title of publication	Main group bismuth(iii), gallium(iii) and diorganotin(iv) complexes derived from bis(2-acetylpyrazine)thiocarbonohydrazone: synthesis, crystal structures and biological evaluation.
Authors of publication	Zhang, Nan; Tai, Yanxue; Li, Mingxue; Ma, Pengtao; Zhao, Junwei; Niu, Jingyang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	13
Pages of publication	5182 - 5189
a	13.4347 ± 0.0009 Å
b	31.954 ± 0.002 Å
c	33.272 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	14283.4 ± 1.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.0956
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179999 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/93.	7029314.cif
107117	2014-03-17	cif/ Adding structures of 7029314, 7029315 via cif-deposit CGI script.	7029314.cif