Crystallography Open Database

Information card for entry 7020820

7020819 << 7020820 >> 7020821

Preview

Coordinates	7020820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H69 Co4 Li2 N6 O33.5 P6
Calculated formula	C12 H64 Co4 Li2 N6 O33.5 P6
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	13.0426 ± 0.0003 Å
b	13.2471 ± 0.0004 Å
c	26.9972 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4664.5 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0331
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7020820.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020820.cif
73678	2013-02-21	cif/ Adding structures of 7020818, 7020819, 7020820, 7020821 via cif-deposit CGI script.	7020820.cif