Crystallography Open Database

Information card for entry 2202568

2202567 << 2202568 >> 2202569

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Structure parameters

Formula	C6 H18 N O6 P
Calculated formula	C6 H18 N O6 P
Title of publication	Triethanolammonium dihydrogenphosphite
Authors of publication	Harrison, William T. A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	9
Pages of publication	o1267 - o1269
a	7.928 ± 0.0007 Å
b	5.5192 ± 0.0005 Å
c	12.794 ± 0.0011 Å
α	90°
β	104.803 ± 0.002°
γ	90°
Cell volume	541.24 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	0.938
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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