Crystallography Open Database

Information card for entry 4110355

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Structure parameters

Formula	C24 H46 N4 P2 Pd
Calculated formula	C24 H46 N4 P2 Pd
SMILES	[Pd]([P](c1n(ccn1)C)(C(C)(C)C)C(C)(C)C)[P](c1n(ccn1)C)(C(C)(C)C)C(C)(C)C
Title of publication	Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)
Authors of publication	Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	438 - 453
a	15.9009 ± 0.0011 Å
b	11.4188 ± 0.0008 Å
c	16.5897 ± 0.0011 Å
α	90°
β	110.4 ± 0.001°
γ	90°
Cell volume	2823.3 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
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	0.0317
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4110355.cif
178874	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/03.	4110355.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110355.cif
59151	2012-06-04	cif/ Adding structures of 4110355 via cif-deposit CGI script.	4110355.cif