Crystallography Open Database

Information card for entry 8102466

Preview

Coordinates	8102466.cif

Structure parameters

Chemical name	bi-(2,2-bipyridine)-hexa(N-tosyl-glycinato)- bisamarium (III)- diaqua.2,2-bipyridine [Sm~2~(C~12~H~8~N~2~)~2~(C~9~H~10~NO~4~S)~6~.H~2~O].(C~12~H~8~N~2~)
Formula	C42 H44 N6 O13 S3 Sm
Calculated formula	C42 H44 N6 O13 S3 Sm
Title of publication	Crystal structure of diaqua-bis(2,2'-bipyridine)-hexa(N-tosylglycinato)disamarium(III) — 2,2'-bipyridine (1:1), Sm2(H2O)2(C10H8N2)2(C9H10NO4S)6 · C10H8N2
Authors of publication	Gui-Lin Wen; Xia Bao
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	3
Pages of publication	478
a	14.147 ± 0.005 Å
b	29.232 ± 0.011 Å
c	12.716 ± 0.005 Å
α	90°
β	115.283 ± 0.006°
γ	90°
Cell volume	4755 ± 3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1018
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102466.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102466.cif
13205	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102466 via cif-deposit CGI script.	8102466.cif