Crystallography Open Database

Information card for entry 4513918

Preview

Coordinates	4513918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Cl4 N8 Pd2
Calculated formula	C14 H14 Cl4 N8 Pd2
SMILES	[Pd]1(Cl)(Cl)[n]2n(C(n3[n]1ccc3)C1n3[n]([Pd](Cl)(Cl)[n]4n1ccc4)ccc3)ccc2
Title of publication	Dinuclear Tetrapyrazolyl Palladium Complexes Exhibiting Facile Tandem Transfer Hydrogenation/Suzuki Coupling Reaction of Fluoroarylketone
Authors of publication	Dehury, Niranjan; Maity, Niladri; Tripathy, Suman Kumar; Basset, Jean-Marie; Patra, Srikanta
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	8
Pages of publication	5535
a	10.3908 ± 0.0007 Å
b	11.9666 ± 0.0008 Å
c	17.1508 ± 0.0013 Å
α	90°
β	106.646 ± 0.002°
γ	90°
Cell volume	2043.2 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0656
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	0.882
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
186242 (current)	2016-09-07	cif/ Updating files of 4513918, 4513919, 4513920 Original log message: Adding full bibliography for 4513918--4513920.cif.	4513918.cif
184691	2016-07-28	cif/ Adding structures of 4513918 via cif-deposit CGI script.	4513918.cif