Crystallography Open Database

Information card for entry 7024309

Preview

Coordinates	7024309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 N3 Pd
Calculated formula	C28 H27 N3 Pd
SMILES	[Pd]12(c3ccccc3C[N]2(C)C)[N](c2ccccc2)=CC2=CC=CC2=CN1c1ccccc1
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	11.2909 ± 0.0006 Å
b	13.9873 ± 0.0008 Å
c	15.0483 ± 0.0008 Å
α	87.193 ± 0.004°
β	87.521 ± 0.004°
γ	76.18 ± 0.004°
Cell volume	2303.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1122
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	0.681
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
179948 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/43.	7024309.cif
92381	2014-01-12	cif/ Adding structures of 7024308, 7024309, 7024310, 7024311 via cif-deposit CGI script.	7024309.cif