Crystallography Open Database

Information card for entry 7238268

Preview

Coordinates	7238268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H21 N3 O7 P2
Calculated formula	C5 H21 N3 O7 P2
Title of publication	Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures
Authors of publication	Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	3327
a	9.9533 ± 0.0008 Å
b	6.9947 ± 0.0006 Å
c	18.0126 ± 0.0015 Å
α	90°
β	103.36 ± 0.001°
γ	90°
Cell volume	1220.11 ± 0.18 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0283
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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