Crystallography Open Database

Information card for entry 7118188

Preview

Coordinates	7118188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H35 Cl2 I N4 O Pd
Calculated formula	C33 H35 Cl2 I N4 O Pd
SMILES	[Pd]123(I)(N(c4c(C1=Nc1c2cccc1)cccc4)C=O)[n]1ccc(cc1c1[n]3ccc(c1)C(C)(C)C)C(C)(C)C.C(Cl)Cl
Title of publication	A new type of oxidative addition of an iodoarene to a Pd(ii) complex.
Authors of publication	Vicente-Hernández, Inmaculada; Chicote, María-Teresa; Vicente, José; Bautista, Delia
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	3
Pages of publication	594 - 596
a	10.7622 ± 0.0011 Å
b	12.8238 ± 0.0012 Å
c	13.4282 ± 0.0012 Å
α	114.432 ± 0.003°
β	100.558 ± 0.003°
γ	93.044 ± 0.003°
Cell volume	1641.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0519
Weighted residual factors for all reflections included in the refinement	0.0552
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
171847 (current)	2016-01-01	cif/ Adding structures of 7118188 via cif-deposit CGI script.	7118188.cif