Crystallography Open Database

Information card for entry 7127441

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Coordinates	7127441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H25 Au2 Fe N11 O6
Calculated formula	C31 H25 Au2 Fe N11 O6
Title of publication	A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.
Authors of publication	Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	1
Pages of publication	85 - 88
a	10.286 ± 0.002 Å
b	30.443 ± 0.006 Å
c	33.846 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	10598 ± 4 Å³
Cell temperature	210 K
Ambient diffraction temperature	210 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0978
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.2232
Weighted residual factors for all reflections included in the refinement	0.2512
Goodness-of-fit parameter for all reflections included in the refinement	0.956
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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