Crystallography Open Database

Information card for entry 7024146

Preview

Coordinates	7024146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H77 Ce N4 P4 Si4
Calculated formula	C62 H77 Ce N4 P4 Si4
SMILES	[Ce]123([N]([Si](C)(C)C)=P(c4ccccc4)(c4ccccc4)C=P(c4ccccc4)(c4ccccc4)N1[Si](C)(C)C)C(=P(c1ccccc1)(c1ccccc1)N3[Si](C)(C)C)P(c1ccccc1)(c1ccccc1)=[N]2[Si](C)(C)C
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	31.368 ± 0.0017 Å
b	25.7369 ± 0.0017 Å
c	21.0352 ± 0.0017 Å
α	90°
β	131.128 ± 0.002°
γ	90°
Cell volume	12791.6 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	0.81
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.	7024146.cif
92206	2014-01-12	cif/ Adding structures of 7024145, 7024146, 7024147, 7024148, 7024149, 7024150, 7024151, 7024152, 7024153, 7024154 via cif-deposit CGI script.	7024146.cif