Crystallography Open Database

Information card for entry 4000264

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Coordinates	4000264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H18 Fe3 N3 O20 P3
Calculated formula	C8 H10 Fe3 N3 O20 P3
Journal of publication	Chemistry of Materials
Year of publication	2003
a	9.6367 ± 0.0007 Å
b	10.176 ± 0.0007 Å
c	12.6164 ± 0.0009 Å
α	86.302 ± 0.001°
β	68.88 ± 0.001°
γ	61.8 ± 0.001°
Cell volume	1008.66 ± 0.12 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 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	0.0494
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0934
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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