Crystallography Open Database

Information card for entry 4348648

Preview

Coordinates	4348648.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Unk
Formula	C70 H80 Cl2 Fe2 N10 O15
Calculated formula	C70 H80 Cl2 Fe2 N10 O15
Title of publication	Dioxygen Reactivity of an Iron Complex of 2-Aminophenol-Appended Ligand: Crystallographic Evidence of the Aromatic Ring Cleavage Product of the 2-Aminophenol Unit.
Authors of publication	Paul, Ganesh Chandra; Banerjee, Sridhar; Mukherjee, Chandan
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	2
Pages of publication	729 - 736
a	15.2994 ± 0.0003 Å
b	13.1099 ± 0.0003 Å
c	18.3192 ± 0.0004 Å
α	90°
β	93.079 ± 0.002°
γ	90°
Cell volume	3669.04 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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
233223 (current)	2019-11-23	cif/ Adding structures of 4348648 via cif-deposit CGI script.	4348648.cif