Crystallography Open Database

Information card for entry 7024153

Preview

Coordinates	7024153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H45 Nd O3
Calculated formula	C33 H45 Nd O3
SMILES	[Nd]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
Title of publication	Lanthanide tri-benzyl complexes: structural variations and useful precursors to phosphorus-stabilised lanthanide carbenes.
Authors of publication	Wooles, Ashley J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	2
Pages of publication	500 - 510
a	14.0886 ± 0.0009 Å
b	10.5094 ± 0.0007 Å
c	20.6877 ± 0.0013 Å
α	90°
β	101.409 ± 0.002°
γ	90°
Cell volume	3002.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.032
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179946 (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 7/02/41.	7024153.cif
92206	2014-01-12	cif/ Adding structures of 7024145, 7024146, 7024147, 7024148, 7024149, 7024150, 7024151, 7024152, 7024153, 7024154 via cif-deposit CGI script.	7024153.cif