Crystallography Open Database

Information card for entry 7209293

7209292 << 7209293 >> 7209294

Preview

Coordinates	7209293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H56 Cu I N4 O2
Calculated formula	C37 H56 Cu I N4 O2
SMILES	c1(c(cc(cc1C(C)C)CN1CCOCC1)C(C)C)N1C(=[Cu]I)N(c2c(cc(cc2C(C)C)CN2CCOCC2)C(C)C)CC1
Title of publication	pH-Responsive N-heterocyclic carbene copper(i) complexes: syntheses and recoverable applications in the carboxylation of arylboronic esters and benzoxazole with carbon dioxide
Authors of publication	Wang, Wenlong; Zhang, Guodong; Lang, Rui; Xia, Chungu; Li, Fuwei
Journal of publication	Green Chemistry
Year of publication	2013
Journal volume	15
Journal issue	3
Pages of publication	635
a	16.9 ± 0.02 Å
b	27.54 ± 0.03 Å
c	8.179 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	3807 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.182
Residual factor for significantly intense reflections	0.1183
Weighted residual factors for significantly intense reflections	0.261
Weighted residual factors for all reflections included in the refinement	0.2871
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
180423 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/92.	7209293.cif
75581	2013-03-10	cif/ Adding structures of 7209293 via cif-deposit CGI script.	7209293.cif