Crystallography Open Database

Information card for entry 7246632

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Coordinates	7246632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 Cd2 N8 O16
Calculated formula	C44 H36 Cd2 N8 O16
Title of publication	Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation
Authors of publication	Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	18
Pages of publication	2739 - 2754
a	11.1356 ± 0.0018 Å
b	13.457 ± 0.002 Å
c	15.87 ± 0.002 Å
α	90°
β	103.005 ± 0.004°
γ	90°
Cell volume	2317.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1056
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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