Crystallography Open Database

Information card for entry 7056182

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Coordinates	7056182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H92 N8 O19 P6
Calculated formula	C30 H92.0004 N8 O19 P6
Title of publication	Role of crystallization water molecules on hydrogen-bonded structures and dielectric phase transitions in amino trimethylene phosphonic acid-based crystals
Authors of publication	Sun, Yu-Ling; Zheng, Bei-Bei; Zhang, Wen
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	12
Pages of publication	5142 - 5150
a	14.728 ± 0.0017 Å
b	14.728 ± 0.0017 Å
c	23.716 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	4455.1 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1047
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.2244
Weighted residual factors for all reflections included in the refinement	0.2479
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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