Reactions of hydrazones and hydrazides with Lewis acidic boranes.
Gazis, Theodore A.; Dasgupta, Ayan; Hill, Michael S.; Rawson, Jeremy M.; Wirth, Thomas; Melen, Rebecca L.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 12391–12395; doi:10.1039/c9dt01359h

data_7700784
_publ_section_title
;
 Reactions of hydrazones and hydrazides with Lewis acidic boranes.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12391
_journal_page_last               12395
_journal_paper_doi               10.1039/c9dt01359h
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C31 H18 B F9 N2'
_chemical_formula_sum            'C31 H18 B F9 N2'
_chemical_formula_weight         600.28
_chemical_properties_physical    Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2019-02-11
_audit_creation_method
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Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
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_audit_update_record
;
2019-02-14 deposited with the CCDC.    2019-06-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.132(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5166(4)
_cell_length_b                   21.8157(8)
_cell_length_c                   13.1104(5)
_cell_measurement_reflns_used    6947
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.8590
_cell_measurement_theta_min      4.0440
_cell_volume                     2687.37(18)
_computing_cell_refinement       'CrysAlisPro 1.171.39.45b (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45b (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45b (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.830
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0224
_diffrn_reflns_av_unetI/netI     0.0300
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.830
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14765
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.830
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.652
_diffrn_reflns_theta_min         3.283
_exptl_absorpt_coefficient_mu    0.131
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.623
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CrysAlisPro 1.171.39.45b (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over 
a multifaceted crystal model. Empirical absorption correction using 
spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_description       block
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.212
_exptl_crystal_size_mid          0.183
_exptl_crystal_size_min          0.106
_refine_diff_density_max         0.283
_refine_diff_density_min         -0.224
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0418
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0351P)^2^+1.3302P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0965
_refine_ls_wR_factor_ref         0.1045
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5183
_reflns_number_total             6315
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7700782--7700789.cif.'
_cod_database_code               7700784
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_max   0.986
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_olex2_refinement_description
;
1. Others
 Fixed Uiso: H3(0.04) H4(0.049) H5(0.046) H6(0.044) H7(0.037) H9(0.047)
 H10(0.064) H11(0.06) H12(0.05) H13(0.038) H16(0.036) H18(0.037) H22(0.037)
 H24(0.04) H28(0.034) H30(0.037) H2A(0.026) H2B(0.026)
 Fixed X: H3(1.20828) H4(1.32417) H5(1.200037) H6(0.957549) H7(0.840042)
 H9(0.720843) H10(0.477852) H11(0.39148) H12(0.545907) H13(0.78832)
 H16(0.658628) H18(1.013832) H22(1.472472) H24(1.453369) H28(0.804261)
 H30(0.911025) H2A(0.85748) H2B(0.968878)
 Fixed Y: H3(0.978384) H4(1.066251) H5(1.157158) H6(1.159101) H7(1.071098)
 H9(0.945811) H10(0.941291) H11(0.945505) H12(0.956992) H13(0.964437)
 H16(0.807728) H18(0.902545) H22(0.77021) H24(0.826632) H28(0.669038)
 H30(0.593487) H2A(0.861951) H2B(0.849243)
 Fixed Z: H3(-0.154698) H4(-0.191691) H5(-0.2244) H6(-0.222894) H7(-0.18732)
 H9(-0.037332) H10(-0.095776) H11(-0.269854) H12(-0.387026) H13(-0.330362) H16(-
 0.441959) H18(-0.466942) H22(-0.222251) H24(0.067712) H28(0.075113) H30(-
 0.18231) H2A(-0.097371) H2B(-0.01222)
;
_shelx_res_checksum              37513
_olex2_submission_special_instructions 'No special instructions were received'