Crystallography Open Database

Information card for entry 7251464

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Coordinates	7251464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H100 N8 O16
Calculated formula	C101 H100 N8 O16
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	22.70732 ± 0.00009 Å
b	22.70732 ± 0.00009 Å
c	17.5665 ± 0.00011 Å
α	90°
β	90°
γ	90°
Cell volume	9057.68 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for all reflections	0.1287
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	0.9997
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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