Crystallography Open Database

Information card for entry 7031747

Preview

Coordinates	7031747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H53 Cl2 Cu N2 Si
Calculated formula	C46 H53 Cl2 Cu N2 Si
SMILES	[Cu](Cl)=C1N(C=C([Si](Cl)(c2ccccc2)c2ccccc2)N1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C
Title of publication	Synthesis and structural investigation of R2Si (R = Me, Ph) bridged di-N-heterocyclic carbenes.
Authors of publication	Ghadwal, Rajendra S.; Reichmann, Sven O.; Carl, Elena; Herbst-Irmer, Regine
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	36
Pages of publication	13704 - 13710
a	11.38 ± 0.002 Å
b	15.471 ± 0.002 Å
c	24.676 ± 0.003 Å
α	90°
β	98.03 ± 0.02°
γ	90°
Cell volume	4301.9 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0368
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
180023 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/17.	7031747.cif
123463	2014-09-08	cif/ Updating files of 7031746, 7031747, 7031748, 7031749 Original log message: Adding full bibliography for 7031746--7031749.cif.	7031747.cif
120772	2014-07-25	cif/ Adding structures of 7031746, 7031747, 7031748, 7031749 via cif-deposit CGI script.	7031747.cif