Crystallography Open Database

Information card for entry 7029315

Preview

Coordinates	7029315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H33 N9 O3 S Sn
Calculated formula	C30 H33 N9 O3 S Sn
SMILES	[Sn]123(SC(=N[N]2=C(c2[n]1ccnc2)C)N/N=C(\C)c1nccnc1)(c1ccccc1)(c1ccccc1)OC(=[O]3)C.N(C=O)(C)C
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	10.916 ± 0.002 Å
b	11.864 ± 0.0018 Å
c	14.183 ± 0.002 Å
α	86.149 ± 0.003°
β	69.356 ± 0.002°
γ	67.672 ± 0.003°
Cell volume	1585.2 ± 0.4 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	0.072
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	7029315.cif
107117	2014-03-17	cif/ Adding structures of 7029314, 7029315 via cif-deposit CGI script.	7029315.cif