Crystallography Open Database

Information card for entry 7024310

Preview

Structure parameters

Formula	C38 H54 N4 Pd
Calculated formula	C38 H54 N4 Pd
SMILES	C1(CCCCC1)N1[Pd]2([N](C3CCCCC3)=CC3C(C=CC=3)=CN2C2CCCCC2)[N](C2CCCCC2)=CC2=CC=CC2=C1
Title of publication	Palladium complexes of 6-aminofulvene-2-aldiminate (AFA) ligands.
Authors of publication	Bailey, Philip J.; Collins, Anna; Haack, Peter; Parsons, Simon; Rahman, Mahmudur; Smith, Damian; White, Fraser J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	6
Pages of publication	1591 - 1597
a	9.4867 ± 0.0002 Å
b	16.9336 ± 0.0003 Å
c	10.6112 ± 0.0002 Å
α	90°
β	101.69 ± 0.001°
γ	90°
Cell volume	1669.27 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for all reflections	0.0794
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	0.8712
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7024310.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7024310.cif
92381	2014-01-12	cif/ Adding structures of 7024308, 7024309, 7024310, 7024311 via cif-deposit CGI script.	7024310.cif