Crystallography Open Database

Information card for entry 7111486

Preview

Coordinates	7111486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27.5 Cl2 Fe N8.5 O8
Calculated formula	C32 H17 Cl2 Fe N8.5 O8
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	11.732 ± 0.002 Å
b	12.453 ± 0.003 Å
c	13.997 ± 0.003 Å
α	94.77 ± 0.03°
β	113.14 ± 0.03°
γ	104.39 ± 0.03°
Cell volume	1783.5 ± 0.9 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 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	0.1518
Residual factor for significantly intense reflections	0.0941
Weighted residual factors for significantly intense reflections	0.2494
Weighted residual factors for all reflections included in the refinement	0.2811
Goodness-of-fit parameter for all reflections included in the refinement	0.936
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111486.cif
96539	2014-01-29	cif/ Adding structures of 7111485, 7111486, 7111487 via cif-deposit CGI script.	7111486.cif