Crystallography Open Database

Information card for entry 7703651

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Coordinates	7703651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H32 Fe N12 O6
Calculated formula	C42 H32 Fe N12 O6
Title of publication	Heteroleptic iron(ii) complexes with naphthoquinone-type ligands.
Authors of publication	Shiga, Takuya; Kumamaru, Rina; Newton, Graham N.; Oshio, Hiroki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	5
Pages of publication	1485 - 1491
a	11.6257 ± 0.0011 Å
b	13.692 ± 0.0012 Å
c	13.7914 ± 0.0012 Å
α	106.572 ± 0.0012°
β	111.161 ± 0.0011°
γ	94.9087 ± 0.0012°
Cell volume	1918.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1647
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	1.288
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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