A study of di(amino)stibines with terminal Sb(iii) hydrogen-ligands by X-ray- and neutron-diffraction.
Schwamm, Ryan J.; Edwards, Alison J.; Fitchett, Christopher M.; Coles, Martyn P.; Dalton transactions (Cambridge, England : 2003) 48 (2019) 2953–2958; doi:10.1039/c8dt05113e

data_7048825
_publ_section_title
;
 A study of di(amino)stibines with terminal Sb(iii) hydrogen-ligands by
 X-ray- and neutron-diffraction.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2953
_journal_page_last               2958
_journal_paper_doi               10.1039/c8dt05113e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C20 H31 N2 O Sb Si2'
_chemical_formula_sum            'C20 H31 N2 O Sb Si2'
_chemical_formula_weight         493.4
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_symmetry_space_group_name_Hall  '-P 1'
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_audit_update_record
;
2019-01-30 deposited with the CCDC.
2019-01-31 downloaded from the CCDC.
;
_cell_angle_alpha                99.459(5)
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_cell_measurement_reflns_used    5427
_cell_measurement_temperature    120.01(10)
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_diffrn_ambient_temperature      120.01(10)
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_diffrn_measured_fraction_theta_max 0.9978
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0140454
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_diffrn_orient_matrix_UB_13      -0.0195587
_diffrn_orient_matrix_UB_21      -0.0997091
_diffrn_orient_matrix_UB_22      -0.0306201
_diffrn_orient_matrix_UB_23      -0.0115505
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_diffrn_orient_matrix_UB_33      0.0485876
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_av_R_equivalents  0.0301
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         26.3715
_diffrn_reflns_theta_min         3.3731
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.358
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_exptl_absorpt_process_details
;
        CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
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    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             504
_exptl_crystal_size_max          0.169
_exptl_crystal_size_mid          0.105
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_refine_ls_number_reflns         4543
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0344
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0205P)^2^+0.7472P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0652
_refine_ls_wR_factor_ref         0.0673
_reflns_number_gt                4181
_reflns_number_total             4543
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt05113e2.cif
_cod_data_source_block           Compound-2a
_cod_depositor_comments
'Adding full bibliography for 7048824--7048828.cif.'
_cod_original_cell_volume        1110.98(12)
_cod_database_code               7048825