Crystallography Open Database

Information card for entry 7117807

Preview

Coordinates	7117807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C152 H120 Cd8 N4 O54
Calculated formula	C152 H108 Cd8 N4 O54
Title of publication	Chiral template induced homochiral MOFs built from achiral components: SHG enhancement and enantioselective sensing of chiral alkamines by ion-exchange
Authors of publication	Yun-Hu Han; Yue-Cheng Liu; Xiu-Shuang Xing; Chong-Bin Tian; Ping Lin; Shao-Wu Du
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	14481
a	17.656 ± 0.0011 Å
b	16.2741 ± 0.0018 Å
c	26.219 ± 0.003 Å
α	90°
β	90.609 ± 0.007°
γ	90°
Cell volume	7533.2 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0859
Weighted residual factors for significantly intense reflections	0.2385
Weighted residual factors for all reflections included in the refinement	0.2464
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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