Crystallography Open Database

Information card for entry 1563842

Preview

Coordinates	1563842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H26 Cl N2 O4 P Pd
Calculated formula	C10 H26 Cl N2 O4 P Pd
SMILES	[Pd]12(Cl)P(=O)(OC[C@@H]([NH2]1)C(C)C)OC[C@@H]([NH2]2)C(C)C.O
Title of publication	From bidentate H-spirophosporane ligand to tridentate phosphonate ligand in palladium chemistry
Authors of publication	Skarżyńska, Anna; Gniewek, Andrzej
Journal of publication	Inorganica Chimica Acta
Year of publication	2018
Journal volume	483
Pages of publication	248 - 251
a	18.158 ± 0.006 Å
b	9.728 ± 0.004 Å
c	9.402 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1660.8 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
266863 (current)	2021-07-01	cif/ Adding structures of 1563841, 1563842 via cif-deposit CGI script.	1563842.cif