Crystallography Open Database

Information card for entry 7061496

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Coordinates	7061496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 Cd3 N6 O8
Calculated formula	C36 H32 Cd3 N6 O8
Title of publication	Anion-induced two stable isostructural Cd(ii) LMOFs based on benzotriazole with the highly selective detection of Fe3+ ions
Authors of publication	Shao, Juan-Juan; Ni, Jian-Ling; Mensah, Abraham; Liang, Yu; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	22
Pages of publication	10927 - 10933
a	9.3931 ± 0.0003 Å
b	10.747 ± 0.0005 Å
c	18.2962 ± 0.0007 Å
α	90°
β	91.123 ± 0.003°
γ	90°
Cell volume	1846.6 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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