Crystallography Open Database

Information card for entry 1556358

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Structure parameters

Formula	C83 H106 O P8 Pd2
Calculated formula	C83 H106 O P8 Pd2
SMILES	[P]123[P](CC(=C(C2)C)C)([Pd]2([P]45[P](CC(=C(C4)C)C)(CC(=C(C5)C)C)[Pd]3([P]34[P]2(CC(=C(C)C4)C)CC(=C(C3)C)C)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)CC(=C(C1)C)C.O1CCCC1.c1ccccc1C
Title of publication	Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals
Authors of publication	Tofan, Daniel; Cummins, Christopher C.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	8
Pages of publication	2474
a	12.3521 ± 0.0003 Å
b	14.0198 ± 0.0003 Å
c	23.3487 ± 0.0005 Å
α	74.059 ± 0.001°
β	80.729 ± 0.001°
γ	82.851 ± 0.001°
Cell volume	3823.38 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.1624
Goodness-of-fit parameter for all reflections included in the refinement	1.264
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1556358.cif
244377	2019-11-28	cif/ Adding structures of 1556356, 1556357, 1556358, 1556359, 1556360 via cif-deposit CGI script.	1556358.cif