Crystallography Open Database

Information card for entry 4326601

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Coordinates	4326601.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.7 H35.4 Cl Cr2 F6 Fe N12 O6.3 S2
Calculated formula	C43.7 H35.4 Cl Cr2 F6 Fe N12 O6.3 S2
Title of publication	Remote Effects of Axial Ligand Substitution in Heterometallic Cr\τbCr...M Chains
Authors of publication	Michael Nippe; Yevgeniya Turov; John F. Berry
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10592 - 10599
a	34.4912 ± 0.0009 Å
b	17.8894 ± 0.0005 Å
c	16.83 ± 0.0004 Å
α	90°
β	108.302 ± 0.001°
γ	90°
Cell volume	9859.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.348
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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