Crystallography Open Database

Information card for entry 4089327

Preview

Coordinates	4089327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 Cl N3 O4 Pd
Calculated formula	C15 H26 Cl N3 O4 Pd
SMILES	[Pd]1([NH]=C(C)C)([N](C)(C)Cc2c1cccc2)[NH]=C(C)C.Cl(=O)(=O)(=O)[O-]
Title of publication	Acetimine and 2-Methyl-2-amino-4-iminopentane Complexes of Palladium(II)
Authors of publication	Ruiz, José; Rodríguez, Venancio; Cutillas, Natalia; López, Gregorio; Pérez, José
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	23
Pages of publication	4912
a	9.079 ± 0.001 Å
b	9.55 ± 0.001 Å
c	12.546 ± 0.001 Å
α	81.11°
β	73.44 ± 0.01°
γ	66.15 ± 0.01°
Cell volume	952.68 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
243611 (current)	2019-11-26	cif/ Adding structures of 4089323, 4089324, 4089325, 4089326, 4089327, 4089328 via cif-deposit CGI script.	4089327.cif