Crystallography Open Database

Information card for entry 4342336

Preview

Coordinates	4342336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H68.5 Cu2 N7 O15.75
Calculated formula	C46 H49 Cu2 N7 O15.75
Title of publication	Rational design of a cytotoxic dinuclear cu2 complex that binds by molecular recognition at two neighboring phosphates of the DNA backbone.
Authors of publication	Jany, Thomas; Moreth, Alexander; Gruschka, Claudia; Sischka, Andy; Spiering, Andre; Dieding, Mareike; Wang, Ying; Samo, Susan Haji; Stammler, Anja; Bögge, Hartmut; Fischer von Mollard, Gabriele; Anselmetti, Dario; Glaser, Thorsten
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	6
Pages of publication	2679 - 2690
a	10.9107 ± 0.0016 Å
b	15.793 ± 0.002 Å
c	31.758 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5472.3 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4342336.cif
134786	2015-04-04	cif/ Updating files of 4342336 Original log message: Adding full bibliography for 4342336.cif.	4342336.cif
131156	2015-02-05	cif/ Adding structures of 4342336 via cif-deposit CGI script.	4342336.cif