Crystallography Open Database

Information card for entry 7056185

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Coordinates	7056185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H96 N8 O21 P6
Calculated formula	C30 H92 N8 O21 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	11.474 ± 0.009 Å
b	11.641 ± 0.009 Å
c	11.834 ± 0.009 Å
α	103.678 ± 0.009°
β	99.604 ± 0.005°
γ	102.404 ± 0.011°
Cell volume	1460 ± 2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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