Crystallography Open Database

Information card for entry 4101910

4101909 << 4101910 >> 4101911

Preview

Coordinates	4101910.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H24 Fe5 N4 O40 P8
Calculated formula	C10 H24 Fe5 N4 O40 P8
Title of publication	Mixed Anion (Phosphate/Oxalate) Bonding to Iron(III) Materials
Authors of publication	Fiona R. Kizewski; Paul Boyle; Dean Hesterberg; James D. Martin
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	2301 - 2308
a	9.7851 ± 0.0003 Å
b	9.8986 ± 0.0003 Å
c	10.742 ± 0.0003 Å
α	73.79 ± 0.0015°
β	71.6838 ± 0.0014°
γ	79.3001 ± 0.0013°
Cell volume	942.99 ± 0.05 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.044
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.051
Goodness-of-fit parameter for all reflections included in the refinement	1.48
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
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/4101910.html