Crystallography Open Database

Information card for entry 4303052

Preview

Coordinates	4303052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 N2 O2 Pd
Calculated formula	C36 H52 N2 O2 Pd
SMILES	[Pd]123Oc4c(cc(cc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2c(c(cc(c2)C(C)(C)C)C(C)(C)C)O1)C(C)(C)C)C(C)(C)C.[Pd]123Oc4c(cc(cc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Detailed Evaluation of the Geometric and Electronic Structures of One-Electron Oxidized Group 10 (Ni, Pd, and Pt) Metal(II)-(Disalicylidene)diamine Complexes
Authors of publication	Yuichi Shimazaki; T. Daniel P. Stack; Tim Storr
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8383 - 8392
a	10.177 ± 0.0009 Å
b	26.269 ± 0.003 Å
c	26.925 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7198.1 ± 1.3 Å³
Cell temperature	133.2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4303052.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303052.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303052.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303052.cif