Crystallography Open Database

Information card for entry 4080256

Preview

Coordinates	4080256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 In N2 Sm
Calculated formula	C36 H52 In N2 Sm
SMILES	c12ccc(c[n]1[Sm]13456789([c]%10([c]1([c]3([c]4([c]5%10C)C)C)C)C)([c]1([c]6([c]7([c]8([c]91C)C)C)C)C)[n]1c([In]2(CC)CC)ccc(c1)C)C
Title of publication	Pyridyl Compounds of Heavier Group 13 and 14 Elements as Ligands for Lanthanide Metals
Authors of publication	Zeckert, Kornelia
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1387
a	11.9097 ± 0.0002 Å
b	19.0579 ± 0.0004 Å
c	15.1619 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3441.36 ± 0.11 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178691 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/02.	4080256.cif
85882	2013-05-07	cif/ Adding structures of 4080253, 4080254, 4080255, 4080256 via cif-deposit CGI script.	4080256.cif