Crystallography Open Database

Information card for entry 7024308

Preview

Coordinates	7024308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 N4 Pd
Calculated formula	C27 H28 N4 Pd
SMILES	[Pd]1(C)(N(C=C2C=CC=C2C=[N]1c1ccccc1)c1ccccc1)[n]1ccc(cc1)N(C)C
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	10.597 ± 0.0003 Å
b	16.3536 ± 0.0005 Å
c	13.4978 ± 0.0004 Å
α	90°
β	94.16 ± 0.002°
γ	90°
Cell volume	2332.99 ± 0.12 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for all reflections	0.0995
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	0.9009
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7024308.cif
92381	2014-01-12	cif/ Adding structures of 7024308, 7024309, 7024310, 7024311 via cif-deposit CGI script.	7024308.cif