Crystallography Open Database

Information card for entry 4325463

Preview

Coordinates	4325463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.5 H32.25 Fe N6.75 O6
Calculated formula	C35.5 H32.25 Fe N6.75 O6
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	7.3694 ± 0.0006 Å
b	19.797 ± 0.003 Å
c	12.1347 ± 0.0018 Å
α	90°
β	102.388 ± 0.012°
γ	90°
Cell volume	1729.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1659
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	0.689
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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