Crystallography Open Database

Information card for entry 7219600

7219599 << 7219600 >> 7219601

Preview

Coordinates	7219600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H13 I N4 Pd
Calculated formula	C18 H13 I N4 Pd
SMILES	[Pd]12(I)[N](=Nc3c2cccc3)c2ccccc2[N]1=Nc1ccccc1
Title of publication	Insight into Luminescent Bisazoaromatic CNN Pincer Palladacycle: Synthesis, Structure, Electrochemistry and Some Catalytic Applications in C‒C Coupling
Authors of publication	Roy, Sima; Pramanik, Shuvam; Ghorui, Tapas; Pramanik, Kausikisankar
Journal of publication	RSC Adv.
Year of publication	2015
a	9.7153 ± 0.0005 Å
b	11.3018 ± 0.0005 Å
c	15.5241 ± 0.0007 Å
α	90°
β	93.107 ± 0.002°
γ	90°
Cell volume	1702.05 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
180527 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/96.	7219600.cif
131977	2015-02-18	cif/ Adding structures of 7219596, 7219597, 7219598, 7219599, 7219600 via cif-deposit CGI script.	7219600.cif