Selective complexation of α-amino acids and simple peptides via their carboxylate groups.
Schnitter, Roland; Gallego, Daniel; Kersting, Berthold; Dalton transactions (Cambridge, England : 2003) 43 (2014) 13637–13648; doi:10.1039/c4dt02007c

data_7031836
_publ_section_title
;
 Selective complexation of \a-amino acids and simple peptides via their
 carboxylate groups.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13637
_journal_page_last               13648
_journal_paper_doi               10.1039/c4dt02007c
_journal_volume                  43
_journal_year                    2014
_chemical_absolute_configuration L
_chemical_formula_sum            'C72 H101 B N10 Ni2 O3 S2'
_chemical_formula_weight         1346.98
_chemical_name_systematic
; 
 ? 
;
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_audit_creation_method           '[LNi2(mu-L-alanyl-L-alaninato)]BPh4x2MeCN'
_cell_angle_alpha                97.83(3)
_cell_angle_beta                 105.66(3)
_cell_angle_gamma                115.48(3)
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_computing_cell_refinement       SMART
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_computing_molecular_graphics    'ORTEP3 (FARRUGIA)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.933
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_device_type  'BRUKER AXS'
_diffrn_measurement_method       hemisphere
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_diffrn_radiation_type           MoK\a
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_exptl_absorpt_correction_T_min  0.8828
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.20
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.006(16)
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0273P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                9782
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02007c2.cif
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_cod_depositor_comments
'Adding full bibliography for 7031834--7031836.cif.'
_cod_original_cell_volume        3566.0(12)
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7031836