A general route to monoorganopnicogen(iii) (M = Sb, Bi) compounds with a pincer (N,C,N) group and oxo ligands.
Strîmb, Gabriela; Pöllnitz, Alpár; Raţ, Ciprian I; Silvestru, Cristian; Dalton transactions (Cambridge, England : 2003) 44 (2015) 9927–9942; doi:10.1039/c5dt00603a

data_7035327
_publ_section_title
;
 A general route to monoorganopnicogen(iii) (M = Sb, Bi) compounds with a
 pincer (N,C,N) group and oxo ligands.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9927
_journal_page_last               9942
_journal_paper_doi               10.1039/c5dt00603a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C20 H29 N4 O4 Sb, H2 O'
_chemical_formula_sum            'C20 H31 N4 O5 Sb'
_chemical_formula_weight         529.24
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2014-08-20T08:36:53-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2014-12-31 deposited with the CCDC.
2015-04-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.629(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.0558(19)
_cell_length_b                   17.283(4)
_cell_length_c                   16.433(3)
_cell_measurement_reflns_used    3800
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      21.13
_cell_measurement_theta_min      2.34
_cell_measurement_wavelength     0.71073
_cell_volume                     2476.9(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0763
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 1
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23884
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 1
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.5
_diffrn_reflns_theta_min         1.745
_exptl_absorpt_coefficient_mu    1.148
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.841
_refine_diff_density_min         -0.561
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     281
_refine_ls_number_reflns         4590
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+0.6313P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.0973
_reflns_number_gt                3793
_reflns_number_total             4590
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt00603a2.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        2476.7(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7035327
_shelx_estimated_absorpt_t_min   0.683
_shelx_estimated_absorpt_t_max   0.762
_shelxl_version_number           2013-3
_shelx_res_checksum              38480
_platon_squeeze_details
;
(replace by semicolon in column 1 when used as .sqf)
TITL 107ale in P2(1)/c
CELL    9.0558   17.2830   16.4330     90.00    105.63     90.00
SPGR P21/c
C101 0.868 0.506 0.154 !       3.27 eA-3
C102 0.175 0.647 0.931 !       2.90 eA-3
C103 0.880 0.064 0.590 !       1.93 eA-3
Q104 0.680 0.113 0.760 !       0.92 eA-3
Q105 0.464 0.921 0.235 !       0.92 eA-3
Q106 0.441 0.514 0.749 !       0.90 eA-3
Q107 0.295 0.526 0.730 !       0.86 eA-3
Q108 0.431 0.891 0.253 !       0.74 eA-3
Q109 0.632 0.315 0.771 !       0.63 eA-3
Q110 0.939 0.253 0.262 !       0.57 eA-3
Q111 0.375 0.903 0.275 !       0.56 eA-3
Q112 0.181 0.974 0.221 !       0.53 eA-3
Q113 0.243 0.375 0.981 !       0.51 eA-3
(replace by semicolon in column 1 when used as .sqf)
;
_shelx_fab_checksum              87216