Portraying the role of halo ligands and the auxiliary part of ligands of mononuclear manganese(iii)-Schiff base complexes in catalyzing phospho‒ester bond hydrolysis
Chakraborty, Tonmoy; Dasgupta, Sanchari; Zangrando, Ennio; Das, Debasis; New Journal of Chemistry 42 (2018) 14933–; doi:10.1039/C8NJ02634C

data_7057596
_publ_section_title
;
 Portraying the role of halo ligands and the auxiliary part of ligands of
 mononuclear manganese(iii)-Schiff base complexes in catalyzing
 phospho--ester bond hydrolysis
;
_journal_issue                   18
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              14933
_journal_paper_doi               10.1039/C8NJ02634C
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety         'C26 H36 Cl Mn N4 O5, 2(H2 O)'
_chemical_formula_sum            'C26 H40 Cl Mn N4 O7'
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2018-07-24 deposited with the CCDC.
2018-07-27 downloaded from the CCDC.
;
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;
Huber 4-circles Kappa Goniometer, Pilatus 2M detector
;
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_min         1.606
_diffrn_source                   'Elettra Synchrotron - XRD1 BL'
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_exptl_absorpt_process_details
;
 Parkin S,Moezzi B & Hope H, (1995) J. Appl. Cryst. 28, 53-56
 Cubic fit to sin(theta)/lambda - 24 parameters
;
_exptl_crystal_colour            brown
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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_refine_ls_R_factor_all          0.0767
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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^)+(0.1219P)^2^+15.7828P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             4640
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7057596--7057602.cif.'
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