Donor-activated alkali metal dipyridylamides: co-complexation reactions with zinc alkyls and reactivity studies with benzophenone.
Armstrong, David R.; Brouillet, Etienne V.; Kennedy, Alan R.; Garden, Jennifer A.; Granitzka, Markus; Mulvey, Robert E.; Trivett, Joshua J.; Dalton transactions (Cambridge, England : 2003) 43 (2014) 14409–14423; doi:10.1039/c4dt00914b

data_7031396
_publ_section_title
;
 Donor-activated alkali metal dipyridylamides: co-complexation reactions
 with zinc alkyls and reactivity studies with benzophenone.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14409
_journal_page_last               14423
_journal_paper_doi               10.1039/c4dt00914b
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C38 H62 N12 Na2'
_chemical_formula_sum            'C38 H62 N12 Na2'
_chemical_formula_weight         732.98
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 96.726(9)
_cell_angle_gamma                90.084(9)
_cell_formula_units_Z            2
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_cell_length_b                   11.0583(11)
_cell_length_c                   18.5966(18)
_cell_measurement_reflns_used    4628
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      72.8015
_cell_measurement_theta_min      4.2957
_cell_volume                     2073.4(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
;
_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Oxford Diffraction Gemini S'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_h_min       -12
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_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
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_diffrn_reflns_theta_full        70.00
_diffrn_reflns_theta_max         70.00
_diffrn_reflns_theta_min         4.08
_exptl_absorpt_coefficient_mu    0.754
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.46 (release 25-11-2010 CrysAlis171 .NET)
(compiled Nov 25 2010,17:55:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.174
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.862
_refine_diff_density_min         -0.963
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_parameters     501
_refine_ls_number_reflns         17153
_refine_ls_number_restraints     151
_refine_ls_restrained_S_all      1.163
_refine_ls_R_factor_all          0.2075
_refine_ls_R_factor_gt           0.1510
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+29.6513P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4185
_refine_ls_wR_factor_ref         0.4457
_reflns_number_gt                8270
_reflns_number_total             17153
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c4dt00914b2.cif
_cod_data_source_block           jtjg13
_cod_depositor_comments
'Adding full bibliography for 7031396--7031398.cif.'
_cod_database_code               7031396