Crystallography Open Database

Information card for entry 2019945

2019944 << 2019945 >> 2019946

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Coordinates	2019945.cif
Original IUCr paper	HTML

Structure parameters

Common name	<i>L</i>-Argininium phosphite
Chemical name	<i>L</i>-Argininium phosphite
Formula	C6 H17 N4 O5 P
Calculated formula	C6 H17 N4 O5 P
SMILES	C(=O)([C@H](CCCNC(=[NH2+])N)[NH3+])[O-].OP(=O)[O-]
Title of publication	<small>L</small>-Argininium phosphite ‒ a new candidate for NLO materials
Authors of publication	Ghazaryan, Vahram V.; Zakharov, Boris A.; Petrosyan, Aram M.; Boldyreva, Elena V.
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	5
Pages of publication	415 - 421
a	9.3382 ± 0.00011 Å
b	4.84411 ± 0.00005 Å
c	13.16136 ± 0.00014 Å
α	90°
β	105.077 ± 0.0012°
γ	90°
Cell volume	574.865 ± 0.011 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0326
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
136365 (current)	2015-05-13	cif/ hkl/ Adding structures of 2019944, 2019945 via cif-deposit CGI script.	2019945.cif