Zn(II), Cd(II) and Cu(II) complexes of 2,5-bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrole: synthesis, structures and their high catalytic activity for efficient cyclic carbonate synthesis.
Vignesh Babu, Heeralal; Muralidharan, Krishnamurthi; Dalton transactions (Cambridge, England : 2003) 42 (2013) 1238–1248; doi:10.1039/c2dt31755a

data_7022114
_publ_section_title
;
 Zn(II), Cd(II) and Cu(II) complexes of
 2,5-bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrole: synthesis,
 structures and their high catalytic activity for efficient cyclic
 carbonate synthesis.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1238
_journal_page_last               1248
_journal_paper_doi               10.1039/c2dt31755a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C61 H80 Cu N6 O'
_chemical_formula_sum            'C61 H80 Cu N6 O'
_chemical_formula_weight         976.85
_chemical_name_systematic
;
?
;
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_symmetry_space_group_name_Hall  '-P 2ac 2n'
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_computing_cell_refinement       'Bruker SMART'
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_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      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
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_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_theta_max         25.40
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    0.428
_exptl_absorpt_correction_T_max  0.9505
_exptl_absorpt_correction_T_min  0.9194
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_exptl_absorpt_process_details   brukarsadbas
_exptl_crystal_colour            brown
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_exptl_crystal_description       block
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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^)+(0.0536P)^2^+5.7550P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1377
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_reflns_number_gt                4966
_reflns_number_total             5392
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        5688.8
_cod_original_sg_symbol_H-M      'Pnma '
_cod_database_code               7022114