A diphenylboron chelate of an ethylenebishydroxylamine formaldehyde adduct
Kliegel, Wolfgang; Amt, Hennig; Patrick, Brian O.; Rettig, Steven J.; James Trotter; Acta Crystallographica Section E 58 (2002) o473–o475; doi:10.1107/S1600536802005391

data_2201051
_publ_section_title
;
 A diphenylboron chelate of an ethylenebishydroxylamine formaldehyde
 adduct
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o473
_journal_page_last               o475
_journal_paper_doi               10.1107/S1600536802005391
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'C34 H42 B2 N2 O4'
_chemical_formula_moiety         'C34 H42 B2 N2 O4'
_chemical_formula_sum            'C34 H42 B2 N2 O4'
_chemical_formula_weight         564.34
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_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 98.164(5)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   10.5826(9)
_cell_length_b                   11.6428(6)
_cell_length_c                   13.3394(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      44.0
_cell_measurement_theta_min      38.4
_cell_volume                     1626.91(18)
_computing_cell_refinement
;
MSC/AFC Diffractometer Control Software
;
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1989)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1989)'
_computing_publication_material  TEXSAN
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_computing_structure_solution
;
MITHRIL (Gilmore, 1984)
;
_diffrn_ambient_temperature      294
_diffrn_measurement_device_type  'Rigaku AFC-6S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
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_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
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_diffrn_reflns_reduction_process 'Lp corrections applied'
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_diffrn_standards_decay_%        0.0
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_exptl_absorpt_correction_T_min  0.80
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(AFC6; Molecular Structure Corporation, 1989)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_density_meas      ?
_exptl_crystal_description       rhomb
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_exptl_crystal_size_mid          0.30
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;
equ(3) Acta Cryst. (1968), A24, 213
;
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_refine_ls_R_factor_gt           0.038
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.00
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
1/[\s^2^(F~o~) + 0.02F~o~^2^]
;
_refine_ls_weighting_scheme      sigma
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_reflns_threshold_expression     I>3\s(I)
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1626.9(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2201051