Crystallography Open Database

Information card for entry 7705886

Preview

Coordinates	7705886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H21 Br2 N5 Pd
Calculated formula	C25 H21 Br2 N5 Pd
SMILES	c1cccc[n]1[Pd](=C1N(C(=NN1c1ccccc1)Nc1ccccc1)c1ccccc1)(Br)Br
Title of publication	C-C coupling formation using nitron complexes.
Authors of publication	Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	46
Pages of publication	16903 - 16915
a	9.6188 ± 0.0011 Å
b	11.9263 ± 0.0014 Å
c	12.2365 ± 0.0013 Å
α	77.662 ± 0.004°
β	71.146 ± 0.005°
γ	69.041 ± 0.004°
Cell volume	1232.9 ± 0.2 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.0947
Residual factor for significantly intense reflections	0.0856
Weighted residual factors for significantly intense reflections	0.1916
Weighted residual factors for all reflections included in the refinement	0.196
Goodness-of-fit parameter for all reflections included in the refinement	1.23
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
259697 (current)	2020-12-09	cif/ Adding structures of 7705886, 7705887, 7705888, 7705889, 7705890 via cif-deposit CGI script.	7705886.cif