Crystallography Open Database

Information card for entry 7251462

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Coordinates	7251462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 N4 O4
Calculated formula	C30 H36 N4 O4
Title of publication	1D chains and an open 3D network from poly(diethylamidinium) cations and polycarboxylate anions
Authors of publication	Perry-Britton, Meabh K. S.; Du, Jessica J.; White, Nicholas G.
Journal of publication	CrystEngComm
Year of publication	2026
Journal volume	28
Journal issue	5
Pages of publication	990 - 999
a	9.4959 ± 0.0013 Å
b	17.181 ± 0.002 Å
c	23.879 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3895.8 ± 0.8 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.2583
Residual factor for significantly intense reflections	0.1848
Weighted residual factors for all reflections	0.2336
Weighted residual factors for significantly intense reflections	0.2268
Weighted residual factors for all reflections included in the refinement	0.2336
Goodness-of-fit parameter for all reflections included in the refinement	0.9999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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