Crystallography Open Database

Information card for entry 7029354

Preview

Coordinates	7029354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H52 N6 O16 Sm
Calculated formula	C24 H52 N6 O16 Sm
SMILES	[Sm]1234([O]=C(C[OH]1)N(C(C)C)C(C)C)(ON(=[O]2)=O)([OH]CC(N(C(C)C)C(C)C)=[O]3)([OH]CC(N(C(C)C)C(C)C)=[O]4)[OH2].O=N(=O)[O-].O=N(=O)[O-]
Title of publication	Extraction and structural studies of an unexplored monoamide, N,N'-dioctyl, α-hydroxy acetamide with lanthanide(iii) and actinide(iii) ions.
Authors of publication	Kannan, Shanmugaperumal; Vats, Bal Govind; Pius, Illipparambil C.; Noronha, Donald M.; Dhami, Prem S.; Naik, Prashant W.; Kumar, Mukesh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	14
Pages of publication	5252 - 5255
a	10.9512 ± 0.0004 Å
b	27.0203 ± 0.0009 Å
c	13.016 ± 0.0004 Å
α	90°
β	101.549 ± 0.003°
γ	90°
Cell volume	3773.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1076
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1987
Weighted residual factors for all reflections included in the refinement	0.2243
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179999 (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 7/02/93.	7029354.cif
107130	2014-03-18	cif/ Adding structures of 7029354, 7029355 via cif-deposit CGI script.	7029354.cif