Dinuclear nickel and palladium complexes with bridging 2,5-diamino-1,4-benzoquinonediimines: synthesis, structures, and catalytic oligomerization of ethylene.
Taquet, Jean-Philippe; Siri, Olivier; Braunstein, Pierre; Welter, Richard; Inorganic chemistry 45 (2006) 4668–4676; doi:10.1021/ic060019o

data_4350210
_publ_section_title
;
 Dinuclear nickel and palladium complexes with bridging
 2,5-diamino-1,4-benzoquinonediimines: synthesis, structures, and
 catalytic oligomerization of ethylene.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4668
_journal_page_last               4676
_journal_paper_doi               10.1021/ic060019o
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C42 H68 N4 Pt2'
_chemical_formula_sum            'C42 H68 N4 Pt2'
_chemical_formula_weight         1019.22
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.474(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.829(1)
_cell_length_b                   22.615(1)
_cell_length_c                   10.618(1)
_cell_measurement_reflns_used    12114
_cell_measurement_temperature    173
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      1.4
_cell_volume                     2094.0(3)
_computing_publication_material  CIFGEN_IN_OpenMoleN_(_1997)
_computing_structure_refinement  LSFM_OpenMoleN_(_1997)
_computing_structure_solution    Direct_methods_(SIR,_Burla_et_al.,_1989)
_diffrn_ambient_temperature      173
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details
;
  12114 reflections were collected using program Collect
 ("Collect" Data collection software, Nonius B.V., 1998)
 The conditions were as follow : crystal to detector distance =  36. mm.
 Scan angle =  2.0 deg 1 scans of   30 sec per frame.
 Data collection was divided into  1 set(s)
 with the following starting angles and number of frames :

 Set 1 Theta =   -6.40 Omega =    0.00 Kappa =    0.00   91 frames
 Friedel pairs were averaged. Internal R = 0.07
;
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       '\p scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.070
_diffrn_reflns_av_sigmaI/netI    0.333
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12114
_diffrn_reflns_theta_full        27.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         2.5
_diffrn_source                   xray_tube
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    6.705
_exptl_absorpt_correction_T_max  0.398
_exptl_absorpt_correction_T_min  0.273
_exptl_absorpt_correction_type   refdelf_(Walker_&_Stuart,_1983)
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.62
_exptl_crystal_density_method    none
_exptl_crystal_description       prism
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.798
_refine_diff_density_min         -1.475
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.431
_refine_ls_goodness_of_fit_ref   1.354
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    12
_refine_ls_number_parameters     205
_refine_ls_number_reflns         3184
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.086
_refine_ls_R_factor_gt           0.048
_refine_ls_shift/esd_mean        0.000
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.168
_refine_ls_wR_factor_ref         0.072
_reflns_number_gt                3184
_reflns_number_total             4933
_reflns_threshold_expression     >3.0\s(I)
_cod_data_source_file            ic060019osi20060105_101536.cif
_cod_data_source_block           st632
_cod_database_code               4350210