Crystallography Open Database

Information card for entry 7008166

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Coordinates	7008166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H96 Cl4 Fe4 N12 O26
Calculated formula	C72 H80 Cl4 Fe4 N12 O22
Title of publication	2:2 Fe(III):ligand and "adamantane core" 4:2 Fe(III):ligand (hydr)oxo complexes of an acyclic ditopic ligand.
Authors of publication	Ghiladi, Morten; Larsen, Frank B.; McKenzie, Christine J.; Sotofte, Inger; Tuchagues, Jean-Pierre
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	9
Pages of publication	1687 - 1692
a	15.991 ± 0.005 Å
b	25.14 ± 0.007 Å
c	20.922 ± 0.006 Å
α	90°
β	93.457 ± 0.006°
γ	90°
Cell volume	8396 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1152
Residual factor for significantly intense reflections	0.0904
Weighted residual factors for significantly intense reflections	0.2234
Weighted residual factors for all reflections included in the refinement	0.236
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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