Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4)
Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias; Organometallics 33 (2014) 6967–; doi:10.1021/om501087u

data_4084900
_publ_section_title
;
 Insertion Reactions into the Boron--Boron Bonds of Barrelene-Type
 1,2-Diaminodiboranes(4)
;
_journal_issue                   23
_journal_name_full               Organometallics
_journal_page_first              6967
_journal_paper_doi               10.1021/om501087u
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C30 H52 B2 N2 P2 Pt'
_chemical_formula_sum            'C30 H52 B2 N2 P2 Pt'
_chemical_formula_weight         719.39
_chemical_name_systematic        ?
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_symmetry_space_group_name_Hall  '-P 2yn'
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_cell_angle_beta                 90.179(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.9115(7)
_cell_length_b                   18.8798(9)
_cell_length_c                   16.9717(11)
_cell_measurement_reflns_used    25375
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.07
_cell_measurement_theta_min      3.22
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_computing_cell_refinement       'X-Area (Stoe & Cie, 2001)'
_computing_data_collection       'X-Area (Stoe & Cie, 2001)'
_computing_data_reduction        'X-Area (Stoe & Cie, 2001)'
_computing_molecular_graphics    'XP in SHELXTL-Plus (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            19918
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.61
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.541
_exptl_absorpt_correction_T_max  0.5491
_exptl_absorpt_correction_T_min  0.3965
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'X-Area (Stoe & Cie, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1456
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_refine_diff_density_max         1.252
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_refine_ls_number_reflns         5614
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_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0314
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_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^)+(0.0440P)^2^+0.7310P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0672
_refine_ls_wR_factor_ref         0.0687
_reflns_number_gt                5058
_reflns_number_total             5614
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om501087u_si_002.cif
_cod_data_source_block           wa1494
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4084899--4084904.cif.
;
_cod_original_cell_volume        3175.8(3)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4084900