Crystallography Open Database

Information card for entry 7028233

Preview

Coordinates	7028233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H33 Cl N3 O5 P Pd
Calculated formula	C34 H33 Cl N3 O5 P Pd
SMILES	[Pd]12(c3c(C(=[N]1OCc1[n]2cccc1)N)cccc3)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.Cl(=O)(=O)(=O)[O-]
Title of publication	Cyclopalladated complexes derived from benzamidoxime.
Authors of publication	Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	2
Pages of publication	592 - 598
a	9.4517 ± 0.0009 Å
b	11.4744 ± 0.0011 Å
c	14.6828 ± 0.0014 Å
α	101.775 ± 0.002°
β	93.311 ± 0.002°
γ	94.011 ± 0.002°
Cell volume	1550.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179988 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/82.	7028233.cif
105255	2014-03-12	cif/ Adding structures of 7028231, 7028232, 7028233, 7028234 via cif-deposit CGI script.	7028233.cif