Crystallography Open Database

Information card for entry 4314402

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Coordinates	4314402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H35 Cl Mn N4 O7
Calculated formula	C45 H35 Cl Mn N4 O7
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	11.6175 ± 0.0008 Å
b	16.3708 ± 0.0014 Å
c	20.6689 ± 0.0011 Å
α	90°
β	94.219 ± 0.005°
γ	90°
Cell volume	3920.3 ± 0.5 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1163
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1609
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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