Crystallography Open Database

Information card for entry 1572135

Preview

Coordinates	1572135.cif
Original IUCr paper	HTML

Structure parameters

Formula	C44 H42 Cl2 N2 O2 Pd
Calculated formula	C44 H42 Cl2 N2 O2 Pd
SMILES	[Pd](Cl)(Cl)([N](=Cc1ccccc1c1ccccc1)[C@@H](C)c1ccc(OC)cc1)[N](=Cc1ccccc1c1ccccc1)[C@@H](C)c1ccc(OC)cc1
Title of publication	Bis{(S)-(−)-N-[(2-biphenyl)methylidene]-1-(4-methoxyphenyl)ethylamine-κN}dichloridopalladium(II)
Authors of publication	Anzaldo, Bertin; Gutiérrez Pérez, René; Hernández Téllez, Guadalupe; Mendoza, Ángel; Moreno Morales, Gloria E.
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	7
Pages of publication	x240555
a	10.2505 ± 0.0004 Å
b	18.6165 ± 0.0009 Å
c	10.6345 ± 0.0005 Å
α	90°
β	96.388 ± 0.004°
γ	90°
Cell volume	2016.77 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1572135.cif
293436	2024-07-17	cif/ Adding structures of 1572135 via cif-deposit CGI script.	1572135.cif