Crystallography Open Database

Information card for entry 4109137

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Structure parameters

Formula	C32 H46 N2 O2 Pd
Calculated formula	C32 H46 N2 O2 Pd
SMILES	c12c(cc(cc1C=[N]1[Pd]3(O2)[N](=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O3)CC1)C(C)(C)C)C(C)(C)C
Title of publication	Syntheses and Electronic Structures of One-Electron-Oxidized Group 10 Metal(II)-(Disalicylidene)diamine Complexes (Metal = Ni, Pd, Pt)
Authors of publication	Yuichi Shimazaki; Tatsuo Yajima; Fumito Tani; Satoru Karasawa; Koichi Fukui; Yoshinori Naruta; Osamu Yamauchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	2559 - 2568
a	26.674 ± 0.008 Å
b	10.956 ± 0.004 Å
c	10.273 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3002.2 ± 1.8 Å³
Cell temperature	133.2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.326
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4109137.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109137.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109137.cif
57891	2012-05-23	cif/ Adding structures of 4109137 via cif-deposit CGI script.	4109137.cif