Crystallography Open Database

Information card for entry 4325461

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Coordinates	4325461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H42 Fe N6 O2
Calculated formula	C44 H42 Fe N6 O2
Title of publication	Structural and Electronic Modulation of Magnetic Properties in a Family of Chiral Iron Coordination Polymers
Authors of publication	Lihong Li; Jan M. Becker; Laura E. N. Allan; Guy J. Clarkson; Scott S. Turner; Peter Scott
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5925 - 5935
a	26.87 ± 0.0006 Å
b	11.5749 ± 0.0002 Å
c	14.8955 ± 0.0003 Å
α	90°
β	121.146 ± 0.003°
γ	90°
Cell volume	3964.96 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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