Crystallography Open Database

Information card for entry 7132881

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Coordinates	7132881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H140 Co Fe N17 O19
Calculated formula	C52 H32 Co Fe N10
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	10.218 ± 0.0008 Å
b	14.6762 ± 0.0012 Å
c	17.0726 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2560.2 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	47
Hermann-Mauguin space group symbol	P m m m
Hall space group symbol	-P 2 2
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.2034
Weighted residual factors for all reflections included in the refinement	0.2159
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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