Aluminium, zinc, gallium, and cadmium complexes supported by a monoanionic [N2P2] ligand
Minasian, Stefan G.; Arnold, John; Dalton Transactions  (2009) 106–110; doi:10.1039/b815854a

data_7000172
_publ_section_title
;
 Aluminium, zinc, gallium, and cadmium complexes supported by a
 monoanionic [N2P2] ligand
;
_journal_issue                   1
_journal_name_full               'Dalton Transactions'
_journal_page_first              106
_journal_page_last               110
_journal_paper_doi               10.1039/b815854a
_journal_year                    2009
_chemical_formula_moiety         'C22 H51 Al Cl2 N2 P2 Si'
_chemical_formula_sum            'C22 H51 Al Cl2 N2 P2 Si'
_chemical_formula_weight         531.56
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.071(2)
_cell_angle_beta                 91.737(2)
_cell_angle_gamma                96.951(2)
_cell_formula_units_Z            2
_cell_length_a                   7.8709(9)
_cell_length_b                   13.2010(15)
_cell_length_c                   15.9297(18)
_cell_measurement_reflns_used    7758
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      33.37
_cell_measurement_theta_min      2.68
_cell_volume                     1548.5(3)
_computing_cell_refinement       'Bruker SAINT v7.23a'
_computing_data_reduction        'Bruker SAINT v7.07'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Beamline 11.3.1 ALS'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_source         syncrotron
_diffrn_radiation_wavelength     0.77490
_diffrn_reflns_av_R_equivalents  0.0660
_diffrn_reflns_av_sigmaI/netI    0.0703
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            27403
_diffrn_reflns_theta_full        33.75
_diffrn_reflns_theta_max         33.75
_diffrn_reflns_theta_min         1.80
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.387
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.615954
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.140
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.812
_refine_diff_density_min         -0.434
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         9502
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0544
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0803P)^2^+0.4556P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1495
_refine_ls_wR_factor_ref         0.1597
_reflns_number_gt                7500
_reflns_number_total             9502
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b815854a.txt
_cod_data_source_block           sgm332
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000172