Crystallography Open Database

Information card for entry 7050225

Preview

Coordinates	7050225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 F6 Fe N4 O4.5 P
Calculated formula	C22 F6 Fe N4 O4.5 P
Title of publication	Structural effects on the magnetic properties of ferric complexes in molecular materials or a lamellar CdPS3 host matrix
Authors of publication	Sébastien Floquet; M. Carmen Muñoz; Eric Rivière; René Clément; Jean-Paul Audière; Marie-Laure Boillot
Journal of publication	New J. Chem.
Year of publication	2004
Journal volume	28
Journal issue	4
Pages of publication	535 - 541
a	11.837 ± 0.004 Å
b	17.134 ± 0.005 Å
c	13.764 ± 0.005 Å
α	90°
β	113.08 ± 0.02°
γ	90°
Cell volume	2568.1 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.2157
Residual factor for significantly intense reflections	0.0954
Weighted residual factors for significantly intense reflections	0.2205
Weighted residual factors for all reflections included in the refinement	0.2952
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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