Crystallography Open Database

Information card for entry 1564133

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Coordinates	1564133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Cd N2 O11
Calculated formula	C14 H14 Cd N2 O11
Title of publication	Synthesis, characterization and DFT studies of water stable Cd(II) metal‒organic clusters with better adsorption property towards the organic pollutant in waste water
Authors of publication	Kamal, Samrah; Khalid, Mohd; Shahnawaz Khan, M.; Shahid, M.; Ashafaq, Mo.; I., Mantasha; Shahwaz Ahmad, M.; Ahmad, Musheer; Faizan, Mohd; Ahmad, Shabbir
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119872
a	9.0574 ± 0.0004 Å
b	14.7045 ± 0.0007 Å
c	12.2035 ± 0.0006 Å
α	90°
β	98.495 ± 0.001°
γ	90°
Cell volume	1607.49 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0275
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0482
Weighted residual factors for all reflections included in the refinement	0.0497
Goodness-of-fit parameter for all reflections included in the refinement	1.0818
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267505 (current)	2021-07-13	cif/ Adding structures of 1564133, 1564134 via cif-deposit CGI script.	1564133.cif