Anion Control in the Ionothermal Synthesis of Coordination Polymers
Zhuojia Lin; David S. Wragg; John E. Warren; Russell E. Morris; Journal of the American Chemical Society 129 (2007) 10334–10335; doi:10.1021/ja0737671

data_4109826
_publ_section_title
;
 Anion Control in the Ionothermal Synthesis of Coordination Polymers
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10334
_journal_page_last               10335
_journal_paper_doi               10.1021/ja0737671
_journal_volume                  129
_journal_year                    2007
_chemical_formula_moiety         '(C16 H26 Co5 O18), O3'
_chemical_formula_sum            'C16 H26 Co5 O21'
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_chemical_name_systematic
; 
 ? 
;
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.705(3)
_cell_length_b                   23.705(3)
_cell_length_c                   11.409(2)
_cell_measurement_reflns_used    7628
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      28.7241
_cell_measurement_theta_min      1.9809
_cell_volume                     6411.0(16)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0871
_diffrn_reflns_av_sigmaI/netI    0.0710
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            20786
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    2.612
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4117
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3400
_exptl_crystal_size_max          0.1200
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_exptl_crystal_size_min          0.0500
_refine_diff_density_max         1.134
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3116
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_refine_ls_R_factor_all          0.1034
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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^)+(0.1050P)^2^+46.0147P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2071
_refine_ls_wR_factor_ref         0.2224
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0737671si20070525_064822.cif
_cod_data_source_block           compound_4
_cod_original_cell_volume        6410.6(18)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4109826