Crystallography Open Database

Information card for entry 7062292

Preview

Coordinates	7062292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 Cl4 Fe N2 O4
Calculated formula	C28 H27 Cl4 Fe N2 O4
Title of publication	A new mononuclear Fe(iii) Mannich-base complex with selective histidine binding and catechol oxidase activity
Authors of publication	Mandal, Bikramaditya; Haldar, Anwesha; Ganguly, Rakesh; Saha, Rajat; Mandal, Debdas
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	10
Pages of publication	4698 - 4706
a	9.2164 ± 0.0003 Å
b	16.5872 ± 0.0005 Å
c	18.3092 ± 0.0006 Å
α	90°
β	97.1255 ± 0.0019°
γ	90°
Cell volume	2777.39 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.053
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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