Crystallography Open Database

Information card for entry 7020819

7020818 << 7020819 >> 7020820

Preview

Coordinates	7020819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H14 N2 O5 P2
Calculated formula	C3 H14 N2 O5 P2
Title of publication	Methylene-bis[(aminomethyl)phosphinic acids]: synthesis, acid-base and coordination properties.
Authors of publication	David, Tomáš; Procházková, Soňa; Havlíčková, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr; Lukeš, Ivan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	7
Pages of publication	2414 - 2422
a	11.5649 ± 0.0004 Å
b	8.9009 ± 0.0003 Å
c	8.3936 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	864.02 ± 0.05 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0246
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0702
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
179913 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08.	7020819.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020819.cif
73678	2013-02-21	cif/ Adding structures of 7020818, 7020819, 7020820, 7020821 via cif-deposit CGI script.	7020819.cif