Crystallography Open Database

Information card for entry 7238407

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Coordinates	7238407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H39 B2 F8 Fe N12 O1.5
Calculated formula	C42 H39 B2 F8 Fe N12 O1.5
Title of publication	Two mononuclear iron(ii) complexes of 4-phenylpyrazole-5-carbaldehyde derived ligands are stabilised in different spin states
Authors of publication	Olguín, Juan; Jameson, Guy N. L.; Brooker, Sally
Journal of publication	RSC Advances
Year of publication	2011
Journal volume	1
Journal issue	1
Pages of publication	52
a	23.047 ± 0.01 Å
b	23.329 ± 0.01 Å
c	17.388 ± 0.007 Å
α	90°
β	95.974 ± 0.013°
γ	90°
Cell volume	9298 ± 7 Å³
Cell temperature	84 ± 2 K
Ambient diffraction temperature	84 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2899
Residual factor for significantly intense reflections	0.1208
Weighted residual factors for significantly intense reflections	0.3067
Weighted residual factors for all reflections included in the refinement	0.396
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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