Complexes of late transition metals containing the mixed donor ligands 2,6-(RSCH2)2C5H3N (R = Ph, Me): Crystal structures of [{Cu(2,6-(PhSCH2)2C5H3N)(µ-X)}2] (X = Cl, Br) and [Ni(2,6-(PhSCH2)2C5H3N)Br2]
Ball, Rachel J.; Genge, Anthony R. J.; Radford, Alison L.; Skelton, Brian W.; Tolhurst, Vicki-Anne; White, Allan H.; Journal of the Chemical Society, Dalton Transactions  (2001) 2807–; doi:10.1039/b104332n

data_7010831
_publ_section_title
;
 Complexes of late transition metals containing the mixed donor ligands
 2,6-(RSCH2)2C5H3N (R = Ph, Me): Crystal structures of
 [{Cu(2,6-(PhSCH2)2C5H3N)(&#x00B5;-X)}2] (X = Cl, Br) and
 [Ni(2,6-(PhSCH2)2C5H3N)Br2]
;
_journal_issue                   19
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2807
_journal_paper_doi               10.1039/b104332n
_journal_year                    2001
_chemical_formula_moiety         'C19 H17 Br2 N Ni S2 '
_chemical_formula_sum            'C19 H17 Br2 N Ni S2'
_chemical_formula_weight         541.98
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2001-05-15
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_audit_update_record
;
?
;
_cell_angle_alpha                95.86(3)
_cell_angle_beta                 109.48(3)
_cell_angle_gamma                99.24(2)
_cell_formula_units_Z            2
_cell_length_a                   8.294(3)
_cell_length_b                   17.025(4)
_cell_length_c                   7.520(4)
_cell_measurement_reflns_used    19
_cell_measurement_temperature    150.1
_cell_measurement_theta_max      9.0
_cell_measurement_theta_min      7.0
_cell_volume                     974.2(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
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'teXsan for Windows version 1.06 (MSC, 1997-1999)'
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'teXsan for Windows version 1.06 (MSC, 1997-1999)'
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'teXsan for Windows version 1.06 (MSC, 1997-1999)'
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;
DIRDIF92 PATTY (Beurskens, 1992)
;
_diffrn_ambient_temperature      150.1
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
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_diffrn_orient_matrix_UB_12      -0.00475
_diffrn_orient_matrix_UB_13      0.07784
_diffrn_orient_matrix_UB_21      -0.06627
_diffrn_orient_matrix_UB_22      0.03835
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_diffrn_orient_matrix_UB_31      -0.08224
_diffrn_orient_matrix_UB_32      -0.04636
_diffrn_orient_matrix_UB_33      -0.09729
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  0.04333
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
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;
\y scans (North,Phillips & Matthews, 1968)
;
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_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
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_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.06
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_refine_ls_goodness_of_fit_ref   1.540
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00002|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0410
_refine_ls_wR_factor_ref         0.0410
_reflns_number_gt                2275
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_reflns_threshold_expression     I>2.00\s(I)
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_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C19 H17 Br2 N Ni S2 '
_cod_database_code               7010831