Crystallography Open Database

Information card for entry 7132879

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Coordinates	7132879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H43 Au Br Cl18 Fe N6 O
Calculated formula	C48 H32 Au Br Fe N6
Title of publication	Cyanometallic charge engineering in spin crossover metal-organic frameworks.
Authors of publication	Lyu, Bang-Heng; Xie, Kai-Ping; Cui, Wen; Chen, Yan-Cong; Chen, Guan-Xi; Wu, Si-Guo; Tong, Ming-Liang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	32
Pages of publication	4318 - 4321
a	20.0212 ± 0.0008 Å
b	28.7967 ± 0.0013 Å
c	16.6677 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	9609.7 ± 0.7 Å³
Cell temperature	91 K
Ambient diffraction temperature	91 K
Number of distinct elements	8
Space group number	65
Hermann-Mauguin space group symbol	C m m m
Hall space group symbol	-C 2 2
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.162
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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