Crystallography Open Database

Information card for entry 7718053

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Coordinates	7718053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 Ca N2 O5
Calculated formula	C15 H12 Ca N2 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	29.6335 ± 0.0016 Å
b	6.6713 ± 0.0003 Å
c	19.3696 ± 0.001 Å
α	90°
β	130.396 ± 0.003°
γ	90°
Cell volume	2916.3 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0868
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.2232
Weighted residual factors for all reflections included in the refinement	0.2342
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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