Crystallography Open Database

Information card for entry 7111485

Preview

Coordinates	7111485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H31 Cl2 Fe N7 O8
Calculated formula	C41 Cl2 Fe N7 O8
SMILES	[Fe]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccccc1)c1[n]2c(ccc1)c1[n]3c(cc(c1)c1ccccc1)c1[n]4cccc1)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Highly cytotoxic iron(ii) complexes with pentadentate pyridyl ligands as a new class of anti-tumor agents
Authors of publication	Wong, Ella Lai-Ming; Fang, Guo-Su; Che, Chi-Ming; Zhu, Nianyong
Journal of publication	Chemical Communications
Year of publication	2005
Journal issue	36
Pages of publication	4578 - 4580
a	13.072 ± 0.003 Å
b	13.181 ± 0.003 Å
c	14.66 ± 0.003 Å
α	76.69 ± 0.03°
β	67.58 ± 0.03°
γ	62.77 ± 0.03°
Cell volume	2071.5 ± 1 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 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	0.1903
Residual factor for significantly intense reflections	0.1158
Weighted residual factors for significantly intense reflections	0.2941
Weighted residual factors for all reflections included in the refinement	0.3377
Goodness-of-fit parameter for all reflections included in the refinement	0.907
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180228 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/14.	7111485.cif
96539	2014-01-29	cif/ Adding structures of 7111485, 7111486, 7111487 via cif-deposit CGI script.	7111485.cif