Crystallography Open Database

Information card for entry 7703652

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Coordinates	7703652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H22 B F4 Fe N9 O6
Calculated formula	C48 H22 B F4 Fe N9 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	9.26 ± 0.007 Å
b	32.13 ± 0.03 Å
c	18.517 ± 0.015 Å
α	90°
β	103.237 ± 0.009°
γ	90°
Cell volume	5363 ± 8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.2146
Residual factor for significantly intense reflections	0.0977
Weighted residual factors for significantly intense reflections	0.2502
Weighted residual factors for all reflections included in the refinement	0.2905
Goodness-of-fit parameter for all reflections included in the refinement	0.87
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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