Versatile coordinating abilities of acyclic N<sub>4</sub> and N<sub>2</sub>P<sub>2</sub> ligand frameworks in conjunction with Sn[N(SiMe<sub>3</sub>)<sub>2</sub>]<sub>2</sub>.
Raut, Ravindra K.; Sahoo, Padmini; Chimnapure, Dipti; Majumdar, Moumita; Dalton transactions (Cambridge, England : 2003) 48 (2019) 10953–10961; doi:10.1039/c9dt00617f

data_7700159
_publ_section_title
;
 Versatile coordinating abilities of acyclic N<sub>4</sub> and
 N<sub>2</sub>P<sub>2</sub> ligand frameworks in conjunction with
 Sn[N(SiMe<sub>3</sub>)<sub>2</sub>]<sub>2</sub>.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10953
_journal_page_last               10961
_journal_paper_doi               10.1039/c9dt00617f
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C73.5 H43 B2 F30 N4 Sn'
_chemical_formula_weight         1692.43
_chemical_properties_physical    Air-sensitive,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_method           SHELXL-2017/1
_audit_update_record
;
2019-05-20 deposited with the CCDC.    2019-05-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.994(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2239(8)
_cell_length_b                   15.6566(12)
_cell_length_c                   41.352(3)
_cell_measurement_reflns_used    9833
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.70
_cell_measurement_theta_min      3.55
_cell_volume                     6583.1(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1495
_diffrn_reflns_av_unetI/netI     0.0725
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            84616
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        66.889
_diffrn_reflns_theta_max         66.889
_diffrn_reflns_theta_min         3.020
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.311
_exptl_absorpt_correction_T_max  0.7440
_exptl_absorpt_correction_T_min  0.5944
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction. before refinement was wR2(int) 0.1168 then after refinement  wR2(int) 0.0953. The ratio of Min/Max Transmission is 0.7989
Reference: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_description       Plate
_exptl_crystal_F_000             3368
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.620
_refine_diff_density_min         -0.581
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1003
_refine_ls_number_reflns         11636
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0392
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0325P)^2^+4.7384P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0886
_refine_ls_wR_factor_ref         0.0946
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9280
_reflns_number_total             11636
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00617f2.cif
_cod_data_source_block           Comp_2
_cod_depositor_comments
'Adding full bibliography for 7700155--7700159.cif.'
_cod_original_formula_sum        'C73.50 H43 B2 F30 N4 Sn'
_cod_database_code               7700159
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.698
_shelx_estimated_absorpt_t_max   0.782
_shelx_res_checksum              42126