Crystallography Open Database

Information card for entry 4089323

Preview

Coordinates	4089323.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]12([NH2]C(CC(=[NH]1)C)(C)C)c1ccccc1C[N]2(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	8.7427 ± 0.0004 Å
b	20.7105 ± 0.0011 Å
c	10.4411 ± 0.0006 Å
α	90°
β	92.641 ± 0.004°
γ	90°
Cell volume	1888.52 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	4089323.cif