Crystallography Open Database

Information card for entry 7064006

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Coordinates	7064006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H26 Ag2 Fe N7 O3
Calculated formula	C47 H26 Ag2 Fe N7 O3
Title of publication	A three-dimensional Hofmann-type metal–organic framework with switchable spin crossover and fluorescence properties
Authors of publication	Yan, Fei-Fei; Zhou, Ren-He; Li, Xin-Feng; Zhao, Liang; Meng, Yin-Shan
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	40
Pages of publication	17753 - 17759
a	22.267 ± 0.001 Å
b	10.5295 ± 0.0004 Å
c	20.8347 ± 0.0009 Å
α	90°
β	94.834 ± 0.002°
γ	90°
Cell volume	4867.5 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1042
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1763
Weighted residual factors for all reflections included in the refinement	0.2072
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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