Crystallography Open Database

Information card for entry 7717134

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Coordinates	7717134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H28 Br2 Fe N5 O6
Calculated formula	C41 H28 Br2 Fe N5 O6
Title of publication	Spin crossover Fe<sup>III</sup> complexes with a substituted Hqnal ligand: effects of anions and solvents.
Authors of publication	Chen, Feng-Li; Liu, Xin-Li; Zhao, Yue; Li, Gang; Gao, Bo-Hong; Wang, Xin-Yi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	42
Pages of publication	17233 - 17243
a	11.649 ± 0.007 Å
b	12.268 ± 0.008 Å
c	13.964 ± 0.008 Å
α	110.74 ± 0.03°
β	95.023 ± 0.017°
γ	103.366 ± 0.019°
Cell volume	1784 ± 1.9 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1374
Residual factor for significantly intense reflections	0.0843
Weighted residual factors for significantly intense reflections	0.2014
Weighted residual factors for all reflections included in the refinement	0.2304
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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