Crystallography Open Database

Information card for entry 7028958

Preview

Coordinates	7028958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H45 N6 O10 P2 Sm
Calculated formula	C53 H45 N6 O10 P2 Sm
SMILES	[Sm]12345([O]=NO1)([O]=NO2)([O]=NO3)([O]=NO4)[O]=NO5.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.n1ccccc1
Title of publication	Nitrite complexes of the rare earth elements.
Authors of publication	Pouessel, Jacky; Thuéry, Pierre; Berthet, Jean-Claude; Cantat, Thibault
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	11
Pages of publication	4415 - 4425
a	17.8243 ± 0.0008 Å
b	13.6518 ± 0.0003 Å
c	22.0678 ± 0.001 Å
α	90°
β	109.511 ± 0.002°
γ	90°
Cell volume	5061.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0801
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	0.911
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
179995 (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 7/02/89.	7028958.cif
105468	2014-03-12	cif/ Adding structures of 7028949, 7028950, 7028951, 7028952, 7028953, 7028954, 7028955, 7028956, 7028957, 7028958, 7028959, 7028960, 7028961, 7028962 via cif-deposit CGI script.	7028958.cif