Crystallography Open Database

Information card for entry 1512083

1512082 << 1512083 >> 1512084

Preview

Coordinates	1512083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H60 F12 N4 O4 Pd Sb2
Calculated formula	C48 H60 F12 N4 O4 Pd Sb2
SMILES	[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)([F-])(F)F.[Pd]12([OH2])(=C3N(C(=C(N3c3c(OC(C)C)cccc3)C)C)Cc3c(cc(cc3C)C)C)=C3N(C(=C(N3C[C]13=[C]2(C=C(C=C3C)C)C)C)C)c1c(OC(C)C)cccc1.O
Title of publication	Ether-imidazolium carbenes for suzuki-miyaura cross-coupling of heteroaryl chlorides with aryl/heteroarylboron reagents.
Authors of publication	Kuriyama, Masami; Matsuo, Seira; Shinozawa, Mina; Onomura, Osamu
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	11
Pages of publication	2716 - 2719
a	11.9986 ± 0.0013 Å
b	23.347 ± 0.003 Å
c	19.104 ± 0.002 Å
α	90°
β	92.8783 ± 0.0016°
γ	90°
Cell volume	5344.9 ± 1.1 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for all reflections included in the refinement	0.0571
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512083.cif
87213	2013-07-14	cif/ Adding structures of 1512080, 1512081, 1512082, 1512083 via cif-deposit CGI script.	1512083.cif