Novel Copper(II) Induced Formation of a Porphyrinogen Derivative: X-ray Structural, Spectroscopic, and Electrochemical Studies of Porphyrinogen Complexes of Cu(II) and Co(III) Complex of a Trispyrazolyl Tripodal Ligand
Sachindranath Paul; Anil Kumar Barik; Shie Ming Peng; Susanta Kumar Kar; Inorganic Chemistry 41 (2002) 5803–5809; doi:10.1021/ic0112185

data_4318747
_publ_section_title
;
 Novel Copper(II) Induced Formation of a Porphyrinogen Derivative: X-ray
 Structural, Spectroscopic, and Electrochemical Studies of Porphyrinogen
 Complexes of Cu(II) and Co(III) Complex of a Trispyrazolyl Tripodal
 Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5803
_journal_page_last               5809
_journal_paper_doi               10.1021/ic0112185
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C21 H28 Cl Co N10 O4'
_chemical_formula_weight         578.91
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_symmetry_space_group_name_Hall  '-C 2yc'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 93.03(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
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_cell_length_b                   12.724(2)
_cell_length_c                   19.777(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      12.89
_cell_measurement_theta_min      7.11
_cell_volume                     5350.7(16)
_computing_cell_refinement       'Enraf-Nonius CAD4'
_computing_data_collection       'Enraf-Nonius CAD4'
_computing_data_reduction        'Bruker SHELXTL'
_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      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf-Nonius CAD4'
_diffrn_measurement_method       '\w--2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.87
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_exptl_absorpt_coefficient_mu    0.788
_exptl_absorpt_correction_T_max  0.8540
_exptl_absorpt_correction_T_min  0.7914
_exptl_absorpt_correction_type   'empirical used psi-scan'
_exptl_crystal_colour            'orange red'
_exptl_crystal_density_diffrn    1.437
_exptl_crystal_density_meas      ?
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_exptl_crystal_description       block
_exptl_crystal_F_000             2400
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.1033
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_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1360P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1892
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_reflns_number_gt                2889
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0112185_1.cif
_cod_data_source_block           ic7682
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        5350.6(15)
_cod_database_code               4318747