Palladium carbene complexes derived from imidazolium-linked ortho-cyclophanes
Baker, Murray V.; Skelton, Brian W.; White, Allan H.; Williams, Charlotte C.; Journal of the Chemical Society, Dalton Transactions  (2001) 111–; doi:10.1039/b007293l

data_7010237
_publ_section_title
;
 Palladium carbene complexes derived from imidazolium-linked
 ortho-cyclophanes
;
_journal_issue                   2
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              111
_journal_paper_doi               10.1039/b007293l
_journal_year                    2001
_chemical_formula_sum            'C24 H26 Cl2 N4 Ni O S'
_chemical_formula_weight         548.16
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
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_cell_angle_alpha                90.00000
_cell_angle_beta                 102.8290(10)
_cell_angle_gamma                90.00000
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_cell_length_c                   22.027(2)
_cell_measurement_reflns_used    8073
_cell_measurement_temperature    153
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     2390.9(4)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
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_computing_publication_material  'xtal BONDLA CIFIO'
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_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .039
_diffrn_reflns_av_sigmaI/netI    .057
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       11
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_diffrn_reflns_theta_max         29.27
_diffrn_reflns_theta_min         1.9
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.148
_exptl_absorpt_correction_T_max  .928
_exptl_absorpt_correction_T_min  .798
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_description       prism
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_exptl_crystal_size_max          .12
_exptl_crystal_size_mid          .11
_exptl_crystal_size_min          .07
_refine_diff_density_max         .444
_refine_diff_density_min         -.324
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_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .048
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         .036
_reflns_d_resolution_high        .727
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_reflns_Friedel_coverage         0
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_reflns_limit_k_min              0
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_reflns_limit_l_min              -29
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_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b007293l.txt
_cod_data_source_block           cwcl
_cod_original_sg_symbol_Hall     -p_2ybc
_cod_original_sg_symbol_H-M      P_1_21/c_1
_cod_original_formula_sum        'C24 H26 Cl2 N4 Ni1 O1 S1'
_cod_database_code               7010237