Crystallography Open Database

Information card for entry 4317174

Preview

Coordinates	4317174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 Cl4 Fe2 N4 O5
Calculated formula	C36 H40 Cl4 Fe2 N4 O5
Title of publication	Iron(II) Complexes with Tetradentate Bis(aminophenolate) Ligands: Synthesis and Characterization, Solution Behavior, and Reactivity with O2
Authors of publication	Christopher J. Whiteoak; Rafael Torres Martin de Rosales; Andrew J. P. White; George J. P. Britovsek
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	11106 - 11117
a	9.5427 ± 0.0008 Å
b	9.5864 ± 0.0005 Å
c	11.882 ± 0.0009 Å
α	103.865 ± 0.006°
β	93.513 ± 0.007°
γ	115.405 ± 0.007°
Cell volume	936.41 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0796
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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