The heterocubane [TerSnAs]<sub>4</sub>.
Hinz, Alexander; Goicoechea, Jose M.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 8879–8883; doi:10.1039/c8dt01993b

data_7046688
_publ_section_title
;
 The heterocubane [TerSnAs]<sub>4</sub>.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8879
_journal_page_last               8883
_journal_paper_doi               10.1039/c8dt01993b
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C97 H100 Na O P5 Sn4, 1.5 (C7 H8)'
_chemical_formula_sum            'C107.5 H112 Na O P5 Sn4'
_chemical_formula_weight         2072.56
_chemical_name_systematic
;
 Na[P5Sn4(Ter)4(CO)]*1.5tol
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2018-04-27 deposited with the CCDC.
2018-06-13 downloaded from the CCDC.
;
_cell_angle_alpha                89.608(2)
_cell_angle_beta                 87.993(2)
_cell_angle_gamma                63.640(3)
_cell_formula_units_Z            2
_cell_length_a                   14.5008(4)
_cell_length_b                   15.6338(4)
_cell_length_c                   23.2169(6)
_cell_measurement_reflns_used    18249
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      76.2410
_cell_measurement_theta_min      4.8900
_cell_volume                     4712.9(2)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4102
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_unetI/netI     0.0445
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            50400
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.310
_diffrn_reflns_theta_min         3.670
_exptl_absorpt_coefficient_mu    9.547
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83466
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.460
_exptl_crystal_description       block
_exptl_crystal_F_000             2102
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_refine_diff_density_max         8.612
_refine_diff_density_min         -3.460
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1054
_refine_ls_number_reflns         19413
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0750
_refine_ls_R_factor_gt           0.0647
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0846P)^2^+39.6420P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1642
_refine_ls_wR_factor_ref         0.1743
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16583
_reflns_number_total             19413
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt01993b2.cif
_cod_data_source_block           AH425C_10
_cod_depositor_comments
'Adding full bibliography for 7046685--7046689.cif.'
_cod_original_formula_sum        'C107.50 H112 Na O P5 Sn4'
_cod_database_code               7046688
_shelx_estimated_absorpt_t_min   0.449
_shelx_estimated_absorpt_t_max   0.701
_shelxl_version_number           2013-4
_shelx_res_checksum              64067