Seven coordinate Co(ii) and six coordinate Ni(ii) complexes of an aromatic macrocyclic triamide ligand as paraCEST agents for MRI.
Pradhan, Rabindra N.; Chakraborty, Subhayan; Bharti, Pratibha; Kumar, Janesh; Ghosh, Arindam; Singh, Akhilesh K.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 8899–8910; doi:10.1039/c9dt00747d

data_7049988
_publ_section_title
;
 Seven coordinate Co(ii) and six coordinate Ni(ii) complexes of an
 aromatic macrocyclic triamide ligand as paraCEST agents for MRI.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8899
_journal_page_last               8910
_journal_paper_doi               10.1039/c9dt00747d
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C17 H29 Cl2 Co N7 O5'
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;
2018-12-13 deposited with the CCDC.    2019-05-07 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker D8 Venture'
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_diffrn_reflns_theta_min         2.265
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.930
_exptl_crystal_colour            'Pink colour'
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_exptl_crystal_description       Block
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.7137P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3898
_reflns_number_total             6432
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7049988--7049989.cif.'
_cod_database_code               7049988
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