Crystallography Open Database

Information card for entry 7112074

7112073 << 7112074 >> 7112075

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Coordinates	7112074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H33 Cl2 N3 O4 Pd
Calculated formula	C19 H33 Cl2 N3 O4 Pd
Title of publication	Dioxygen activation by an organometallic Pd(II) precursor: formation of a Pd(IV)-OH complex and its C-O bond formation reactivity
Authors of publication	Fengrui Qu; Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3036
a	16.5967 ± 0.0007 Å
b	8.378 ± 0.0004 Å
c	15.033 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2090.3 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0613
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112074.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112074.cif
104428	2014-03-11	cif/ Adding structures of 7112071, 7112072, 7112073, 7112074 via cif-deposit CGI script.	7112074.cif