Crystallography Open Database

Information card for entry 7243974

Preview

Coordinates	7243974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Ca N4 O8
Calculated formula	C14 H16 Ca N4 O8
Title of publication	Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent
Authors of publication	Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.
Journal of publication	CrystEngComm
Year of publication	2022
Journal volume	24
Journal issue	3
Pages of publication	601 - 608
a	17.7069 ± 0.0008 Å
b	10.4537 ± 0.0008 Å
c	9.3801 ± 0.0006 Å
α	90°
β	92.379 ± 0.004°
γ	90°
Cell volume	1734.78 ± 0.19 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	0.0419
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
272636 (current)	2022-02-04	cif/ Updating files of 7243973, 7243974, 7243975, 7243976, 7243977, 7243978 Original log message: Adding full bibliography for 7243973--7243978.cif.	7243974.cif
270947	2021-12-01	cif/ Adding structures of 7243973, 7243974, 7243975, 7243976, 7243977, 7243978 via cif-deposit CGI script.	7243974.cif