Crystallography Open Database

Information card for entry 7234329

Preview

Coordinates	7234329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.3 H26.7 Au2 Fe N7.5 O1.8
Calculated formula	C20 H12 Au2 Fe N6
Title of publication	Tunable cooperativity in a spin-crossover Hoffman-like metal-organic framework material by aromatic guests
Authors of publication	Jin-Yan Li; Chun-Ting He; Yan-Cong Chen; Ze-Min Zhang; Wei Liu; Zhao-Ping Ni; Ming-Liang Tong
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7830 - 7835
a	10.1153 ± 0.0003 Å
b	10.0824 ± 0.0003 Å
c	15.4366 ± 0.0006 Å
α	90°
β	100.79 ± 0.004°
γ	90°
Cell volume	1546.49 ± 0.09 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1534
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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