Crystallography Open Database

Information card for entry 7046698

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Coordinates	7046698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Fe O6 Se3
Calculated formula	C18 H15 Fe O6 Se3
Title of publication	Synthesis of first row transition metal selenomaltol complexes.
Authors of publication	Spiegel, Michael T.; Hoogerbrugge, Amanda; Truksa, Shamus; Smith, Andrew G.; Shuford, Kevin L.; Klausmeyer, Kevin K.; Farmer, Patrick J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	27
Pages of publication	9030 - 9037
a	14.8261 ± 0.0012 Å
b	14.8261 ± 0.0012 Å
c	16.0571 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	3056.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0195
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0404
Weighted residual factors for all reflections included in the refinement	0.0406
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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