Generation of 19-Electron Adducts in Aqueous Solution Using the Water-Soluble (HOCH2)2PCH2CH2P(CH2OH)2 Ligand
Gregory F. Nieckarz; T. J. R. Weakley; Warren K. Miller; Brian E. Miller; David K. Lyon; David R. Tyler; Inorganic Chemistry 35 (1996) 1721–1724; doi:10.1021/ic951071f

data_4323795
_publ_contact_author
;
    David R. Tyler
    Dept. of Chemistry
    University of Oregon
    Eugene, OR 97403
;
_publ_contact_author_email       ' dtyler@oregon.uoregon.edu '
_publ_contact_author_fax         ' 541-346-4643 '
_publ_contact_author_phone       ' 541-346-4649 '
_publ_section_title
;
 Generation of 19-Electron Adducts in Aqueous Solution Using the
 Water-Soluble (HOCH2)2PCH2CH2P(CH2OH)2 Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1721
_journal_page_last               1724
_journal_paper_doi               10.1021/ic951071f
_journal_volume                  35
_journal_year                    1996
_chemical_formula_sum            'C12 H32 Cl2 Ni O8 P4'
_chemical_formula_weight         557.88
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_date             'Mon Nov  6 12:51:01 1995'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.216(3)
_cell_length_b                   14.634(1)
_cell_length_c                   15.870(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294.2
_cell_measurement_theta_max      14.5
_cell_measurement_theta_min      12.9
_cell_volume                     2140.3(7)
_computing_cell_refinement       'Enraf-Nonius CAD4 software v.5'
_computing_data_collection       'Enraf-Nonius CAD4 software v.5'
_computing_data_reduction        'TEXSAN v.5.0'
_computing_publication_material  'TEXSAN v.5.0'
_computing_structure_refinement  'TEXSAN v.5.0'
_computing_structure_solution    'TEXSAN v.5.0'
_diffrn_ambient_temperature      294.2
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.00247
_diffrn_orient_matrix_UB_12      0.06678
_diffrn_orient_matrix_UB_13      0.01329
_diffrn_orient_matrix_UB_21      0.02894
_diffrn_orient_matrix_UB_22      -0.01348
_diffrn_orient_matrix_UB_23      0.05944
_diffrn_orient_matrix_UB_31      0.10454
_diffrn_orient_matrix_UB_32      0.00531
_diffrn_orient_matrix_UB_33      -0.01615
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2170
_diffrn_reflns_theta_max         225.0
_diffrn_reflns_theta_min         1.5
_diffrn_standards_decay_%        0.27
_diffrn_standards_interval_count 60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.492
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       prism
_exptl_crystal_F_000             1160.00
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.040
_refine_diff_density_max         -4.36
_refine_diff_density_min         28.60
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.218
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     188
_refine_ls_number_reflns         1272
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0417
_refine_ls_shift/esd_max         0.1182
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0351
_reflns_number_observed          1272
_reflns_number_total             2170
_reflns_observed_criterion       1.50
_cod_data_source_file            ic951071f_2.cif
_cod_data_source_block           C12H32Cl2NiO8P4
_cod_original_cell_volume        2140.4(10)
_cod_original_sg_symbol_H-M      'P b c a '
_cod_original_formula_sum        'C12 H32 Cl2 O8 Ni P4 '
_cod_database_code               4323795