A water-soluble and water-coordinated Mn(ii) complex: synthesis, characterization and phantom MRI image study.
Phukan, Bedika; Patel, Anant B.; Mukherjee, Chandan; Dalton transactions (Cambridge, England : 2003) 44 (2015) 12990–12994; doi:10.1039/c5dt01781e

data_7035351
_publ_section_title
;
 A water-soluble and water-coordinated Mn(ii) complex: synthesis,
 characterization and phantom MRI image study.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12990
_journal_page_last               12994
_journal_paper_doi               10.1039/c5dt01781e
_journal_volume                  44
_journal_year                    2015
_chemical_compound_source        synthesis
_chemical_formula_moiety         'C30 H48 Mn4 N4 O26, 8(H2 O)'
_chemical_formula_sum            'C30 H64 Mn4 N4 O34'
_chemical_formula_weight         1244.61
_chemical_name_systematic        unk
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2015-06-04 deposited with the CCDC.
2015-06-05 downloaded from the CCDC.
;
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_cell_volume                     1233.77(17)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.883
_diffrn_measured_fraction_theta_max 0.883
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       '\w scans'
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_exptl_crystal_density_method    'not measured'
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_exptl_crystal_recrystallization_method water
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0380P)^2^+0.2337P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1012
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt01781e2.cif
_cod_data_source_block           exp_1166
_cod_depositor_comments          'Adding full bibliography for 7035351.cif.'
_cod_original_cell_volume        1233.77(15)
_cod_database_code               7035351