Crystallography Open Database

Information card for entry 7246242

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Coordinates	7246242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H38 Cd3 N4 O14
Calculated formula	C66 H38 Cd3 N4 O14
Title of publication	Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2
Authors of publication	Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	12
Pages of publication	1775 - 1781
a	13.356 ± 0.012 Å
b	13.382 ± 0.012 Å
c	14.538 ± 0.013 Å
α	77.483 ± 0.013°
β	75.916 ± 0.013°
γ	76.218 ± 0.014°
Cell volume	2413 ± 4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.278
Residual factor for significantly intense reflections	0.1078
Weighted residual factors for significantly intense reflections	0.1854
Weighted residual factors for all reflections included in the refinement	0.2082
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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