Crystallography Open Database

Information card for entry 7058461

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Coordinates	7058461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 Cd N12 O4
Calculated formula	C22 H14 Cd N12 O4
Title of publication	A three-dimensional Cd(ii) metal‒organic framework: a bifunctional luminescence sensor for benzaldehyde and Fe2+ ions
Authors of publication	Wu, Ming Ze; Shi, Jian Yun; Chen, Peng Yun; Tian, Li
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	26
Pages of publication	10575
a	9.1685 ± 0.0007 Å
b	11.3729 ± 0.0012 Å
c	10.5397 ± 0.0007 Å
α	90°
β	101.086 ± 0.007°
γ	90°
Cell volume	1078.49 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0613
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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