Crystallography Open Database

Information card for entry 7718054

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Coordinates	7718054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 Ca N4 O5
Calculated formula	C17 H14 Ca N4 O5
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	10.277 ± 0.0005 Å
b	6.86 ± 0.0003 Å
c	25.2747 ± 0.0011 Å
α	90°
β	96.901 ± 0.002°
γ	90°
Cell volume	1768.96 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0765
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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