<i>trans</i>-(4-Amino-2,2,6,6-tetramethylpiperidine-<i>N</i>^4^)bis(pentane-2,4-dionato-<i>O</i>,<i>O</i>')(triphenylphosphine-<i>P</i>)cobalt(III) hexafluorophosphate dichloromethane solvate
Suzuki, Takayoshi; Ogita, Masahiro; Kaizaki, Sumio; Acta Crystallographica Section C 56 (2000) 532–533; doi:10.1107/S010827010000113X

data_2010979
_publ_section_title
;<i>trans</i>-(4-Amino-2,2,6,6-tetramethylpiperidine-<i>N</i>^4^)bis(pentane-2,4-dionato-<i>O</i>,<i>O</i>')(triphenylphosphine-<i>P</i>)cobalt(III)
 hexafluorophosphate dichloromethane solvate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              532
_journal_page_last               533
_journal_paper_doi               10.1107/S010827010000113X
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac
'[Co (C5 H7 O2)2 (C18 H15 P) (C9 H20 N2)] P F6 , C H2 Cl2'
_chemical_formula_moiety         'C37 H49 Co N2 O4 P +,  F6 P - , C H2 Cl2'
_chemical_formula_sum            'C38 H51 Cl2 Co F6 N2 O4 P2'
_chemical_formula_weight         905.61
_chemical_name_systematic
;trans-(4-Amino-2,2,6,6-tetramethylpiperidine-N^4^)bis(pentane-2,4-dionato-O,O')
(triphenylphosphine-P)cobalt(III)
 hexafluorophosphate dichloromethane solvate
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.169(10)
_cell_length_b                   25.197(8)
_cell_length_c                   11.638(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      12.4
_cell_measurement_theta_min      11.1
_cell_volume                     4448(4)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control Software'
_computing_data_collection
'Rigaku/AFC Diffractometer Control Software (Rigaku Corporation, 1985)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation and Rigaku Corporation, 1999)'
_computing_molecular_graphics    'ORTEP (Johnson, 1970)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku AFC-5R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .7107
_diffrn_reflns_av_R_equivalents  .022
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            9217
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_standards_decay_%        1.97
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .641
_exptl_absorpt_correction_T_max  .922
_exptl_absorpt_correction_T_min  .843
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Coppens et al., 1965)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1880
_exptl_crystal_size_max          .32
_exptl_crystal_size_mid          .28
_exptl_crystal_size_min          .13
_refine_diff_density_max         .45
_refine_diff_density_min         -.52
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   -.01(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .969
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     518
_refine_ls_number_reflns         7522
_refine_ls_number_restraints     27
_refine_ls_R_factor_gt           .051
_refine_ls_shift/su_max          .031
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .193
_reflns_number_gt                3148
_reflns_number_total             7522
_reflns_threshold_expression     F>4\s(F)
_cod_data_source_file            ta1277.cif
_cod_data_source_block           I
_cod_original_cell_volume        4448(3)
_cod_original_formula_sum        'C38 H51 Cl2 Co F6 N2 O4 P2 '
_cod_database_code               2010979
_cod_database_fobs_code          2010979