Crystallography Open Database

Information card for entry 4347542

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Coordinates	4347542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H50 N10 O
Calculated formula	C43 H50 N10 O
Title of publication	Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups.
Authors of publication	Pal, Nabhendu; Majumdar, Amit
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	6
Pages of publication	3181 - 3191
a	9.205 ± 0.006 Å
b	16.268 ± 0.011 Å
c	25.917 ± 0.018 Å
α	90°
β	96.525 ± 0.011°
γ	90°
Cell volume	3856 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1432
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1777
Weighted residual factors for all reflections included in the refinement	0.2143
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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