Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver coordination
Jääskeläinen, Sirpa; Appiah, Nana Sakyibea; Koshevoy, Igor; Hirva, Pipsa; New Journal of Chemistry 42 (2018) 3363–; doi:10.1039/C7NJ03763E

data_7056932
_publ_section_title
;
 Impacts of the counter ions on 4,5-dicyano-1-methylimidazole silver
 coordination
;
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3363
_journal_paper_doi               10.1039/C7NJ03763E
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety         'C13 H8 Ag F3 N8 O3 S'
_chemical_formula_sum            'C13 H8 Ag F3 N8 O3 S'
_chemical_formula_weight         521.20
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-09-27 deposited with the CCDC.
2018-01-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.47
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_cell_volume                     1834.68(9)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
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_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       '62mm x 62mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II DUO CCD'
_diffrn_measurement_method       '\f scans and \w scans with \k offset'
_diffrn_radiation_monochromator  'curved graphite crystal'
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_diffrn_reflns_av_unetI/netI     0.0154
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
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_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_exptl_absorpt_correction_T_max  0.913
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       needle
_exptl_crystal_F_000             1024
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_exptl_crystal_size_min          0.073
_refine_diff_density_max         0.455
_refine_diff_density_min         -0.443
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0281
_refine_ls_R_factor_gt           0.0205
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0226P)^2^+1.4133P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0492
_refine_ls_wR_factor_ref         0.0531
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1744
_reflns_number_total             2105
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7nj03763e2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7056932--7056934.cif.'
_cod_database_code               7056932
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.848
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_shelx_res_checksum              44163