Crystallography Open Database

Information card for entry 7019103

7019102 << 7019103 >> 7019104

Preview

Coordinates	7019103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H37 Cu N9 O6 S3
Calculated formula	C42 H37 Cu N9 O6 S3
SMILES	[Cu]12([n]3c[nH]c4cccc(N1S(=O)(=O)c1ccc(cc1)C)c34)([n]1c[nH]c3cccc(N2S(=O)(=O)c2ccc(cc2)C)c13)[n]1c[nH]c2c(NS(=O)(=O)c3ccc(cc3)C)cccc12
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	10.307 ± 0.0014 Å
b	14.164 ± 0.002 Å
c	16.076 ± 0.002 Å
α	106.952 ± 0.002°
β	104.444 ± 0.002°
γ	104.477 ± 0.002°
Cell volume	2037.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1205
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	7019103.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019103.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.	7019103.cif