Crystallography Open Database

Information card for entry 4080110

Preview

Coordinates	4080110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H107 N9 O0.5 Y
Calculated formula	C68 H107 N9 O0.5 Y
Title of publication	Insertion Reactions and Catalytic Hydrophosphination of Heterocumulenes using α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes
Authors of publication	Behrle, Andrew C.; Schmidt, Joseph A. R.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	5
Pages of publication	1141 - 1149
a	14.4154 ± 0.0003 Å
b	22.0265 ± 0.0003 Å
c	21.506 ± 0.0004 Å
α	90°
β	97.955 ± 0.001°
γ	90°
Cell volume	6762.9 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.2152
Weighted residual factors for all reflections included in the refinement	0.2296
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4080110.cif
76867	2013-03-21	cif/4/08/ (saulius@koala.ibt.lt) Removing the empty _chemical_name_systematic data item from the 408011{0,1,2}.cif files.	4080110.cif
76866	2013-03-21	cif/ Adding structures of 4080110, 4080111, 4080112 via cif-deposit CGI script.	4080110.cif