Crystallography Open Database

Information card for entry 4345810

Preview

Coordinates	4345810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H76 Br8 Cu4 N28
Calculated formula	C88 H76 Br8 Cu4 N28
SMILES	c12ccccc1n1Cc3ccccc3Cn3n[n](c4c3cccc4)[Cu]34([n]5c6c(cccc6)n(Cc6c(Cn7n[n](c8c7cccc8)[Cu]([n]2n1)(Br)([n]1nn(Cc2c(Cn7c8c(cccc8)[n]3n7)cccc2)c2c1cccc2)[n]1c2c(cccc2)n(Cc2c(Cn3n[n]4c4c3cccc4)cccc2)n1)cccc6)n5)Br.[Br]1[Cu](Br)(Br)[Br][Cu]1(Br)Br.C(#N)C.C(#N)C.C(#N)C.C(#N)C
Title of publication	Cu(II) Coordination Polymers as Vehicles in the A(3) Coupling.
Authors of publication	Loukopoulos, Edward; Kallitsakis, Michael; Tsoureas, Nikolaos; Abdul-Sada, Alaa; Chilton, Nicholas F.; Lykakis, Ioannis N.; Kostakis, George E.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	9
Pages of publication	4898 - 4910
a	32.215 ± 0.002 Å
b	13.4835 ± 0.001 Å
c	25.8172 ± 0.0018 Å
α	90°
β	122.782 ± 0.003°
γ	90°
Cell volume	9428.2 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2346
Residual factor for significantly intense reflections	0.1409
Weighted residual factors for significantly intense reflections	0.3466
Weighted residual factors for all reflections included in the refinement	0.3856
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
195981 (current)	2017-05-04	cif/ Adding structures of 4345808, 4345809, 4345810, 4345811, 4345812, 4345813, 4345814 via cif-deposit CGI script.	4345810.cif