Crystallography Open Database

Information card for entry 7224294

Preview

Coordinates	7224294.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	pdbpn
Chemical name	pdbpn
Formula	C18 H13 Cl N4 O Pd
Calculated formula	C18 H13 Cl N4 O Pd
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	13.0361 ± 0.0007 Å
b	12.7404 ± 0.0008 Å
c	20.0773 ± 0.0016 Å
α	90°
β	94.398 ± 0.002°
γ	90°
Cell volume	3324.7 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
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	0.1934
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	0.846
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7224294.cif
176713	2016-02-18	cif/ Adding structures of 7224294 via cif-deposit CGI script.	7224294.cif