Crystallography Open Database

Information card for entry 4314399

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Coordinates	4314399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H77.5 Cl2 Fe2 N10.5 O15
Calculated formula	C95 H77.5 Cl2 Fe2 N10.5 O15
Title of publication	Synthesis, Characterization, and Ligand Exchange Reactivity of a Series of First Row Divalent Metal 3-Hydroxyflavonolate Complexes
Authors of publication	Katarzyna Grubel; Katarzyna Rudzka; Atta M. Arif; Katie L. Klotz; Jason A. Halfen; Lisa M. Berreau
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	82 - 96
a	14.0237 ± 0.0001 Å
b	15.2054 ± 0.0002 Å
c	21.6638 ± 0.0003 Å
α	70.1168 ± 0.0007°
β	74.8473 ± 0.0007°
γ	81.5826 ± 0.0008°
Cell volume	4184.67 ± 0.09 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.0867
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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