Cleavage of the peptide bond of beta-alanyl-L-histidine (carnosine) induced by a Co(III)-amine complexes: reaction, structure and mechanism.
Saha, Manas K.; Mukhopadhyay, Uday; Bernal, Ivan; Dalton transactions (Cambridge, England : 2003)  (2004) 1466–1473; doi:10.1039/b402571g

data_7014180
_publ_section_title
;
 Cleavage of the peptide bond of beta-alanyl-L-histidine (carnosine)
 induced by a Co(III)-amine complexes: reaction, structure and
 mechanism.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1466
_journal_page_last               1473
_journal_paper_doi               10.1039/b402571g
_journal_year                    2004
_chemical_absolute_configuration rmad
_chemical_compound_source        'synthesis as described'
_chemical_formula_sum            'C12 H30 Cl2 Co N7 O12'
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_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
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_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.884(4)
_cell_length_b                   11.473(6)
_cell_length_c                   18.104(5)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_measurement_wavelength     0.71073
_cell_volume                     2260.7(16)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1994)'
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_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_coefficient_mu
;
1.07

[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_correction_T_max  0.8964
_exptl_absorpt_correction_T_min  0.6971
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_exptl_crystal_colour            orange
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0777P)^2^+2.0750P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2227
_reflns_number_total             2771
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b402571g.txt
_cod_data_source_block           clevco2
_cod_original_cell_volume        2260.8(16)
_cod_database_code               7014180