Crystallography Open Database

Information card for entry 4339175

Preview

Coordinates	4339175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H28.5 F12 Fe N12.5 O P2
Calculated formula	C43 H24 F12 Fe N12.5 O P2
Title of publication	New insights into the visible-light-induced DNA cleavage activity of dipyridoquinoxaline complexes of bivalent 3d-metal ions.
Authors of publication	Roy, Mithun; Pathak, Biswarup; Patra, Ashis K.; Jemmis, Eluvathingal D.; Nethaji, Munirathinam; Chakravarty, Akhil R.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	11122 - 11132
a	19.625 ± 0.007 Å
b	43.089 ± 0.017 Å
c	21.573 ± 0.008 Å
α	90°
β	96.97 ± 0.008°
γ	90°
Cell volume	18108 ± 12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2102
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for significantly intense reflections	0.2101
Weighted residual factors for all reflections included in the refinement	0.2731
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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.	4339175.cif
117177	2014-06-14	cif/ Adding structures of 4339175 via cif-deposit CGI script.	4339175.cif