Crystallography Open Database

Information card for entry 4339712

Preview

Coordinates	4339712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H37 N3 O3 Pd
Calculated formula	C34 H37 N3 O3 Pd
SMILES	[Pd]123n4c(C(=c5[n]2c(C(=O)O1)c(c5C)CC)c1ccc(cc1)C)c(c(c4C=[N]3c1ccccc1)CC)C.O1CCCC1
Title of publication	Dioxygen activation by diiminodipyrromethane complexes of Ni, Pd, and Pt.
Authors of publication	Katayev, Evgeny A.; Severin, Kay; Scopelliti, Rosario; Ustynyuk, Yuri A.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	14
Pages of publication	5465 - 5467
a	11.05 ± 0.03 Å
b	11.334 ± 0.007 Å
c	13.356 ± 0.007 Å
α	64.99 ± 0.06°
β	73.74 ± 0.11°
γ	84.03 ± 0.13°
Cell volume	1455 ± 4 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	0.0915
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339712.cif
117496	2014-06-15	cif/ Adding structures of 4339712 via cif-deposit CGI script.	4339712.cif