Molecular Sn(II) precursors for room temperature deposition of crystalline elemental tin.
Bykowski, Janelle; Sinclair, Jocelyn; Trach, Jonathan; Ferguson, Michael J.; Rivard, Eric; Dalton transactions (Cambridge, England : 2003) 52 (2023) 1602–1607; doi:10.1039/d2dt04028j

data_7712080
_publ_section_title
;
 Molecular Sn(II) precursors for room temperature deposition of
 crystalline elemental tin.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1602
_journal_page_last               1607
_journal_paper_doi               10.1039/d2dt04028j
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C16 H36 O4 Sn2'
_chemical_formula_sum            'C16 H36 O4 Sn2'
_chemical_formula_weight         529.83
_chemical_properties_physical    Air-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-12-13 deposited with the CCDC.	2023-01-10 downloaded from the CCDC.
;
_cell_angle_alpha                114.7162(10)
_cell_angle_beta                 105.6759(11)
_cell_angle_gamma                96.9267(11)
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_cell_length_b                   8.3405(7)
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_cell_measurement_temperature    193(2)
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_cell_measurement_theta_min      2.44
_cell_volume                     557.38(8)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0192
_diffrn_reflns_av_unetI/netI     0.0185
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10236
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.558
_diffrn_reflns_theta_min         2.444
_diffrn_source                   'Short anode X-ray tube fine focus 2kW'
_exptl_absorpt_coefficient_mu    2.253
_exptl_absorpt_correction_T_max  0.7569
_exptl_absorpt_correction_T_min  0.5752
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_description       fragment
_exptl_crystal_F_000             264
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Pentane'
_exptl_crystal_size_max          0.416
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.208
_refine_diff_density_max         0.374
_refine_diff_density_min         -0.422
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3400
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0158
_refine_ls_R_factor_gt           0.0150
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0167P)^2^+0.1322P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0374
_refine_ls_wR_factor_ref         0.0380
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3268
_reflns_number_total             3400
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt04028j2.cif
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_cod_depositor_comments
'Adding full bibliography for 7712080--7712083.cif.'
_cod_database_code               7712080
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.454
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_shelx_res_checksum              8685
_shelx_hkl_checksum              5013