Crystallography Open Database

Information card for entry 4513920

Preview

Coordinates	4513920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Cl4 N8 Pd2
Calculated formula	C20 H18 Cl4 N8 Pd2
SMILES	c1ccn2C(c3ccc(C4n5ccc[n]5[Pd]([n]5cccn45)(Cl)Cl)cc3)n3ccc[n]3[Pd]([n]12)(Cl)Cl
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	7.602 ± 0.001 Å
b	8.298 ± 0.0011 Å
c	10.7372 ± 0.0015 Å
α	99.281 ± 0.004°
β	104.335 ± 0.004°
γ	102.182 ± 0.004°
Cell volume	624.94 ± 0.15 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1304
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.165
Weighted residual factors for all reflections included in the refinement	0.1929
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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.	4513920.cif
184693	2016-07-28	cif/ Adding structures of 4513920 via cif-deposit CGI script.	4513920.cif