Crystallography Open Database

Information card for entry 7028078

Preview

Coordinates	7028078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 Cu2 N2 Si4
Calculated formula	C24 H56 Cu2 N2 Si4
SMILES	[Cu]12[N]([Si](C)(C)C)=C([C@H]([Si](C)(C)C)[Cu]1[N](=C([C@H]2[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C)C(C)(C)C
Title of publication	Synthesis and molecular structures of copper(I) 1-azaallyls
Authors of publication	Hitchcock, Peter B.; Lappert, Michael F.; Layh, Marcus
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	10
Pages of publication	1619
a	9.21 ± 0.004 Å
b	9.412 ± 0.003 Å
c	11.624 ± 0.004 Å
α	102.83 ± 0.03°
β	91.97 ± 0.03°
γ	118.86 ± 0.03°
Cell volume	848.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1058
Residual factor for significantly intense reflections	0.061
Weighted residual factors for all reflections	0.1907
Weighted residual factors for significantly intense reflections	0.151
Goodness-of-fit parameter for all reflections	0.912
Goodness-of-fit parameter for significantly intense reflections	0.882
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
179986 (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 7/02/80.	7028078.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.	7028078.cif
97580	2014-01-29	cif/ Adding structures of 7028078, 7028079, 7028080 via cif-deposit CGI script.	7028078.cif