Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.
Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.; Organic letters 8 (2006) 5259–5262; doi:10.1021/ol062086s

data_1506254
_publ_section_title
;
 Structural impact of coordinating a helical 2,6-pyridyl diamide with
 divalent metals.
;
_journal_issue                   23
_journal_name_full               'Organic letters'
_journal_page_first              5259
_journal_page_last               5262
_journal_paper_doi               10.1021/ol062086s
_journal_volume                  8
_journal_year                    2006
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C27 H22 Cl Cu N5 O4'
_chemical_formula_sum            'C27 H22 Cl Cu N5 O4'
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_chemical_name_common            'Parquette 1058'
_chemical_name_systematic
; 
 ? 
;
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'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
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_diffrn_ambient_temperature      200(2)
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_diffrn_reflns_theta_max         27.48
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_exptl_absorpt_correction_T_max  0.960
_exptl_absorpt_correction_T_min  0.855
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'HKL Scalepack (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_description       'square plate'
_exptl_crystal_F_000             1188
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.04
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_refine_ls_abs_structure_Flack   -0.004(7)
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_refine_ls_R_factor_gt           0.0248
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_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0346P)^2^+0.4239P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_database_code               1506254