Crystallography Open Database

Information card for entry 7718048

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Coordinates	7718048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Ca N6 O6
Calculated formula	C18 H18 Ca N6 O6
Title of publication	A blessing and a curse: impact of urea derivatives on the secondary building unit of Ca-MOFs prepared in deep eutectic solvents.
Authors of publication	Teixeira, Michaël; Louis, Benoît; Baudron, Stéphane A
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	12
Pages of publication	5006 - 5016
a	18.32 ± 0.004 Å
b	10.321 ± 0.002 Å
c	21.059 ± 0.004 Å
α	90°
β	92.454 ± 0.014°
γ	90°
Cell volume	3978.2 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1117
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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