Crystallography Open Database

Information card for entry 7133058

Preview

Coordinates	7133058.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DCF-15
Formula	C55 H42 Cd2 N6 O10
Calculated formula	C55 H42 Cd2 N6 O10
Title of publication	Hierarchical Chiral MOFs with the Induced Chirality of AIE Ligands Exhibiting the Non-reciprocal CPL
Authors of publication	Fu, Hong-Ru; Ren, Dan-Dan; Zhang, Kun; Wang, Shuang; Yang, Xu-Jing; Ding, Qing-Rong; Wu, Ya-Pan
Journal of publication	Chemical Communications
Year of publication	2024
a	9.6554 ± 0.0002 Å
b	17.7129 ± 0.0004 Å
c	36.6589 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6269.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0913
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.2034
Weighted residual factors for all reflections included in the refinement	0.2291
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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