Crystallography Open Database

Information card for entry 7224295

Preview

Coordinates	7224295.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	pdsnah
Chemical name	pdsnah
Formula	C17 H12 Cl N3 O2 Pd
Calculated formula	C17 H12 Cl N3 O2 Pd
SMILES	c1ccc(C2=N[N]3=C(c4cccc[n]4[Pd]3(O2)Cl)c2ccccc2)o1
Title of publication	Pd(ii) pincer type complex catalyzed tandem C‒H and N‒H activation of acetanilide in aqueous media: a concise access to functionalized carbazoles in a single step
Authors of publication	Arumugam, Vignesh; Kaminsky, Werner; Nallasamy, Dharmaraj
Journal of publication	Green Chem.
Year of publication	2016
Journal volume	18
Journal issue	11
Pages of publication	3295
a	18.2644 ± 0.0011 Å
b	9.0854 ± 0.0006 Å
c	19.045 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3160.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0595
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
183714 (current)	2016-06-18	cif/ Updating files of 7224294, 7224295 Original log message: Adding full bibliography for 7224294--7224295.cif.	7224295.cif
176714	2016-02-18	cif/ Adding structures of 7224295 via cif-deposit CGI script.	7224295.cif