Crystallography Open Database

Information card for entry 7110475

Preview

Coordinates	7110475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H52 N4 Si
Calculated formula	C33 H52 N4 Si
SMILES	[Si]1(N(c2c(N1CC(C)(C)C)cccc2)CC(C)(C)C)=C1N(c2c(N1CC(C)(C)C)cccc2)CC(C)(C)C
Title of publication	A crystalline carbene‒silylene adduct 1,2-C6H4[N(R)]2C-Si[N(R)]2C6H4-1,2 (R = CH2But); synthesis, structure and bonding in model compounds†
Authors of publication	Marco Boesveld, W.; Gehrhus, Barbara; Hitchcock, Peter B.; Lappert, Michael F.; von Ragué Schleyer, Paul
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	8
Pages of publication	755
a	10.212 ± 0.004 Å
b	16.231 ± 0.005 Å
c	19.776 ± 0.008 Å
α	90°
β	101.73 ± 0.03°
γ	90°
Cell volume	3209 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.1556
Residual factor for significantly intense reflections	0.075
Weighted residual factors for all reflections	0.1982
Weighted residual factors for significantly intense reflections	0.154
Goodness-of-fit parameter for all reflections	1.002
Goodness-of-fit parameter for significantly intense reflections	1.072
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
180218 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/04.	7110475.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.	7110475.cif
95235	2014-01-28	cif/ Adding structures of 7110475 via cif-deposit CGI script.	7110475.cif