Crystallography Open Database

Information card for entry 7010093

Preview

Coordinates	7010093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H128 Ce2 Cl2 N12 Si4
Calculated formula	C70 H128 Ce2 Cl2 N12 Si4
SMILES	C1(c2ccccc2)N([Ce]234([N]=1CCC[N]2(C)C)([N](CCCN(C)C)=C(N4[Si](C)(C)C)c1ccccc1)[Cl][Ce]124([Cl]3)([N](=C(c3ccccc3)N1CCC[N]2(C)C)[Si](C)(C)C)N(C(=[N]4CCCN(C)C)c1ccccc1)[Si](C)(C)C)[Si](C)(C)C.CCCCC.CCCCC
Title of publication	Synthesis and structures of lithium, aluminium, gallium and lanthanide amidinates containing a γ-pendant amine functionality
Authors of publication	David Doyle; Yurii K. Gun'ko; Peter B. Hitchcock; Michael F. Lappert
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2000
Journal issue	22
Pages of publication	4093 - 4097
a	10.034 ± 0.004 Å
b	18.888 ± 0.003 Å
c	22.335 ± 0.004 Å
α	90°
β	94.28 ± 0.02°
γ	90°
Cell volume	4221 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0629
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for all reflections	0.0881
Weighted residual factors for significantly intense reflections	0.077
Goodness-of-fit parameter for all reflections	1.044
Goodness-of-fit parameter for significantly intense reflections	1.061
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
179804 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/00.	7010093.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	7010093.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010093.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010093.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010093.cif