Observation of reaction intermediates and kinetic mistakes in a remarkably slow self-assembly reaction.
Cangelosi, Virginia M; Carter, Timothy G; Zakharov, Lev N; Johnson, Darren W; Chemical communications (Cambridge, England) 34 (2009) 5606–5608; doi:10.1039/b914750k

data_7104764
_publ_section_title
;
 Observation of reaction intermediates and kinetic mistakes in a
 remarkably slow self-assembly reaction.
;
_journal_issue                   37
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5606
_journal_page_last               5608
_journal_paper_doi               10.1039/b914750k
_journal_volume                  34
_journal_year                    2009
_chemical_formula_sum            'C10 H12 As2 Cl4 O2 S2'
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_atom_sites_solution_hydrogens   difmap
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_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.1642(8)
_cell_length_b                   11.7354(12)
_cell_length_c                   9.2996(9)
_cell_measurement_reflns_used    6458
_cell_measurement_temperature    173(2)
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_cell_measurement_theta_min      2.60
_cell_volume                     854.52(15)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'CCD area detector Bruker Apex'
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_theta_full        28.19
_diffrn_reflns_theta_max         28.19
_diffrn_reflns_theta_min         2.60
_exptl_absorpt_coefficient_mu    4.775
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.021
_exptl_crystal_density_meas      0
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_refine_ls_number_reflns         2030
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_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0212
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0328P)^2^+0.4264P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0547
_refine_ls_wR_factor_ref         0.0554
_reflns_number_gt                1944
_reflns_number_total             2030
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b914750k.txt
_cod_data_source_block           ginny6
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7104764