Synthesis, oxidation and protonation of octamethyl-1,1'-bipyrrole
Kuhn, Norbert; Kotowski, Heike; Steimann, Manfred; Speiser, Bernd; Würde, Marc; Henkel, Gerald; Journal of the Chemical Society, Perkin Transactions 2  (2000) 353–; doi:10.1039/a905603c

data_7203872
_publ_section_title
;
 Synthesis, oxidation and protonation of octamethyl-1,1'-bipyrrole
;
_journal_issue                   2
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 2'
_journal_page_first              353
_journal_paper_doi               10.1039/a905603c
_journal_year                    2000
_chemical_formula_sum            'C16 H25 I4 N2'
_chemical_formula_weight         752.98
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                72.48(3)
_cell_formula_units_Z            2
_cell_length_a                   8.376(3)
_cell_length_b                   11.618(5)
_cell_length_c                   12.271(4)
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_cell_measurement_temperature    150
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_cell_measurement_theta_min      20
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_computing_cell_refinement       'P3 (Siemens, 1991)'
_computing_data_collection       'P3 (Siemens, 1991)'
_computing_data_reduction        'P3 (Siemens, 1991)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXTL PLUS (Sheldrick, 1991)'
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_diffrn_ambient_temperature      150
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens P4RA'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4940
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.44
_diffrn_standards_interval_count 99
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_exptl_absorpt_coefficient_mu    5.504
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_refine_ls_extinction_method     'SHELXTL PLUS'
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_refine_ls_R_factor_gt           0.0310
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'calc w=1/[\s^2^(Fo)+(0.0001)(Fo^2^)]'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             4940
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_cod_depositor_comments
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The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'psi scan' changed to 'psi-scan'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
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_cod_original_cell_volume        1132.2
_cod_database_code               7203872