Crystallography Open Database

Information card for entry 4116912

Preview

Coordinates	4116912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H32 Fe N5 O16
Calculated formula	C12 H30 Fe N5 O16
Title of publication	Synthesis, Spectroscopic and Structural Characterization of the First Mononuclear, Water Soluble Iron-Citrate Complex, (NH4)5Fe(C6H4O7)2.2H2O
Authors of publication	M. Matzapetakis; C. P. Raptopoulou; A. Tsohos; V. Papaefthymiou; N. Moon; A. Salifoglou
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	13266 - 13267
a	9.669 ± 0.007 Å
b	9.714 ± 0.007 Å
c	7.265 ± 0.005 Å
α	90.93 ± 0.02°
β	105.69 ± 0.02°
γ	118.58 ± 0.02°
Cell volume	568.3 ± 0.7 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for all reflections	0.082
Weighted residual factors for significantly intense reflections	0.0816
Goodness-of-fit parameter for all reflections	1.079
Goodness-of-fit parameter for significantly intense reflections	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4116912.html