Crystallography Open Database

Information card for entry 3000568

Preview

No preview available: structure is on hold until 2025-04-18

Coordinates	Coordinates are not available: structure is on hold until 2025-04-18
Structure factors	Structure factors are not available: structure is on hold until 2025-04-18

Structure parameters

Common name	hexakis(urea-O)iron(III) nitrate
Chemical name	hexakis(urea-O)iron(III) nitrate
Formula	C3 H12 Fe0.5 N7.458 O7.373
Authors of publication	Toms Rekis
Journal of publication	To be published
a	11.1534 ± 0.0004 Å
b	18.6443 ± 0.0006 Å
c	12.1716 ± 0.0005 Å
α	90°
β	112.38 ± 0.004°
γ	90°
Cell volume	2340.41 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1514
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for significantly intense reflections	4.41
Goodness-of-fit parameter for all reflections included in the refinement	3.08
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.5 Å
Diffraction radiation type	synchrotron
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.