Crystallography Open Database

Information card for entry 7219485

7219484 << 7219485 >> 7219486

Preview

Coordinates	7219485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H17 Cl4 N3 O4 Sn
Calculated formula	C8 H17 Cl4 N3 O4 Sn
SMILES	C1(=O)O[Sn]2(Cl)([NH](C1)CC(=O)O2)(Cl)Cl.C1[NH2+]CC[NH2+]C1.[Cl-]
Title of publication	Crystal structure determination, spectroscopic characterization and biological profile of a tailored ionic molecular entity, Sn(iv) iminodiacetic acid‒piperazinediium conjugate: in vitro DNA/RNA binding studies, Topo I inhibition activity, cytotoxic and systemic toxicity studies
Authors of publication	Arjmand, Farukh; Yousuf, Imtiyaz; Zaidi, Yusra; Toupet, Loic
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	21
Pages of publication	16250
a	13.9718 ± 0.0003 Å
b	9.84 ± 0.0002 Å
c	11.9523 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1643.23 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	46
Hermann-Mauguin space group symbol	I m a 2
Hall space group symbol	I 2 -2a
Residual factor for all reflections	0.0202
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0386
Weighted residual factors for all reflections included in the refinement	0.0388
Goodness-of-fit parameter for all reflections included in the refinement	1
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
180525 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/94.	7219485.cif
131143	2015-02-04	cif/ Adding structures of 7219485 via cif-deposit CGI script.	7219485.cif