Crystallography Open Database

Information card for entry 7019100

7019099 << 7019100 >> 7019101

Preview

Coordinates	7019100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.5 H34 Cl2 N3 O3.5 S Zn
Calculated formula	C26.5 H33.5 Cl2 N3 O3.5 S Zn
SMILES	[Zn]1(Cl)(Cl)[n]2c3c(N1S(=O)(=O)c1ccc(cc1)C)cccc3oc2c1ccccc1.OC.[NH+](CC)(CC)CC
Title of publication	Investigating chelating sulfonamides and their use in metalloproteinase inhibitors.
Authors of publication	Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	21
Pages of publication	6507 - 6515
a	15.5779 ± 0.001 Å
b	11.6168 ± 0.0007 Å
c	30.984 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5607 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179895 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/91.	7019100.cif
122713	2014-09-02	cif/7 Fixing wrong formula/Z values.	7019100.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019100.cif
60439	2012-06-14	cif/ Adding structures of 7019094, 7019095, 7019096, 7019097, 7019098, 7019099, 7019100, 7019101, 7019102, 7019103, 7019104, 7019105 via cif-deposit CGI script.	7019100.cif