Crystallography Open Database

Information card for entry 7709056

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Coordinates	7709056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H23 Cd N3 O10
Calculated formula	C16 H23 Cd N3 O10
Title of publication	Halogen bonding in cadmium(II) MOFs: influence on the structure and on the nitroaldol reaction in aqueous medium
Authors of publication	Gurbanov, Atash V.; Kuznetsov, Maxim L.; Karmakar, Anirban; Aliyeva, Vusala; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
Journal of publication	Dalton Transactions
Year of publication	2022
a	34.5866 ± 0.0014 Å
b	10.3057 ± 0.0004 Å
c	12.0934 ± 0.0005 Å
α	90°
β	107.555 ± 0.001°
γ	90°
Cell volume	4109.8 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1053
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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