Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the co-ligands and counter-ions on the molecular and crystal structures
Mendoza, María de los Angeles; Bernès, Sylvain; Mendoza-Díaz, Guillermo; Acta Crystallographica Section E 71 (2015) 22–27; doi:10.1107/S205698901402595X

data_2240282
_publ_section_title
;
 Coordination of bis(pyrazol-1-yl)amine to palladium(II): influence of the
 co-ligands and counter-ions on the molecular and crystal structures
;
_journal_coeditor_code           WM5076
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              22
_journal_page_last               27
_journal_paper_doi               10.1107/S205698901402595X
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Pd Br (C14 H23 N5)] N O3'
_chemical_formula_moiety         'C14 H23 Br N5 Pd +, N O3 -'
_chemical_formula_sum            'C14 H23 Br N6 O3 Pd'
_chemical_formula_weight         509.69
_chemical_name_systematic
;
{Bis[2-(3,5-dimethylpyrazol-1-yl-\k<i>N</i>^2^)ethyl]amine-\
\k<i>N</i>}bromidopalladium nitrate
;
_space_group_crystal_system      monoclinic
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;
XSCANS (Siemens, 1996)
;
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XSCANS (Siemens, 1996)
;
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XSCANS (Siemens, 1996)
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SHELXTL (Sheldrick, 2008) and MERCURY (Macrae <i>et al.</i>,
2008)
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SHELXTL (Sheldrick, 2008)
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SHELXL2014 (Sheldrick, 2008)
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SHELXS2014 (Sheldrick, 2008)
;
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_diffrn_reflns_theta_max         28.749
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;
(XSCANS; Siemens, 1996)
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL2014
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_refine_ls_number_restraints     0
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0488P)^2^+3.0560P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>2\s(I)
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