Crystallography Open Database

Information card for entry 1551637

Preview

Coordinates	1551637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 N O3 P
Calculated formula	C26 H28 N O3 P
SMILES	P(=O)([O-])(c1ccccc1)c1ccccc1.O.[NH2+](Cc1ccccc1)Cc1ccccc1
Title of publication	Synthesis and Crystal Structure of a New Hydrated Phosphinate Salt, [(C<sub>6</sub>H<sub>5</sub>CH<sub>2</sub>)<sub>2</sub>NH<sub>2</sub>][(C<sub>6</sub>H<sub>5</sub>)<sub>2</sub>P(O)(O)]·H<sub>2</sub>O
Authors of publication	MARANDI, Pari; RAISSI SHABARI, Akbar; KHOSRAVI, Morteza; POURAYOUBI, Mehrdad
Journal of publication	X-ray Structure Analysis Online
Year of publication	2015
Journal volume	31
Journal issue	0
Pages of publication	37
a	13.273 ± 0.003 Å
b	9.7015 ± 0.0019 Å
c	18.444 ± 0.007 Å
α	90°
β	109.5 ± 0.03°
γ	90°
Cell volume	2238.8 ± 1.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0669
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
216248 (current)	2019-06-20	cif/ Adding structures of 1551637 via cif-deposit CGI script.	1551637.cif