Crystallography Open Database

Information card for entry 7046711

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Structure parameters

Formula	C24 H26 Cl2 Fe N6 O8
Calculated formula	C24 H26 Cl2 Fe N6 O8
Title of publication	Iron(ii) complexes of tris(2-pyridylmethyl)amine (TPMA) and neutral bidentate ligands showing thermal- and photo-induced spin crossover.
Authors of publication	García-López, Víctor; Waerenborgh, João C; Vieira, Bruno J. C.; Clemente-León, Miguel; Coronado, Eugenio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	27
Pages of publication	9156 - 9163
a	9.2596 ± 0.0001 Å
b	9.2596 ± 0.0001 Å
c	31.6205 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2711.15 ± 0.07 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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