Crystallography Open Database

Information card for entry 7251461

Preview

Coordinates	7251461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 N4 O4
Calculated formula	C36 H40 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	10.9536 ± 0.0009 Å
b	12.2674 ± 0.0012 Å
c	12.3465 ± 0.0008 Å
α	92.853 ± 0.006°
β	98.138 ± 0.006°
γ	105.889 ± 0.008°
Cell volume	1572.7 ± 0.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1255
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for all reflections	0.1489
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.0221
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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