Crystallography Open Database

Information card for entry 1529388

Preview

Coordinates	1529388.cif
Structure factors	1529388.hkl

Structure parameters

Formula	C3 H6 N2 O5 Pb0.5
Calculated formula	C3 H7 N2 O5 Pb0.5
Title of publication	The synthesis of complex compounds of metals with b-alanine
Authors of publication	N.N. Golovnev; A.D. Vasiliev; M.S. Molokeev; G.V. Novikova; M.V. Sergeeva
Journal of publication	Vestnik KrasSU
Year of publication	2004
Journal volume	2
Journal issue	0
Pages of publication	14 - 19
a	8.5528 ± 0.0007 Å
b	18.049 ± 0.002 Å
c	8.8422 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1365 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1345
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.70926 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181862 (current)	2016-04-06	hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 1.	1529388.cif 1529388.hkl
176429	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1529388.cif 1529388.hkl
153318	2015-08-10	cif/ hkl/ Adding structures of 1529388 via cif-deposit CGI script.	1529388.cif 1529388.hkl