Crystallography Open Database

Information card for entry 7125452

Preview

Coordinates	7125452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H124 B4 Fe2 N12 O16
Calculated formula	C156 H124 B4 Fe2 N12 O16
Title of publication	A homochiral 3D framework of mechanically interlocked 1D loops with solvent-dependent spin-state switching behaviors.
Authors of publication	Sun, Xiao-Peng; Tang, Zheng; Yao, Zi-Shuo; Tao, Jun
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	1
Pages of publication	133 - 136
a	18.08 ± 0.006 Å
b	16.715 ± 0.006 Å
c	32.015 ± 0.008 Å
α	90°
β	106.028 ± 0.012°
γ	90°
Cell volume	9299 ± 5 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160.01 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.1619
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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