1,2,3,4-Tetramesityl-1,4-bis(tri-n-butyltin)tetraphosphane: synthesis and molecular structure
Ivana Jevtovikj; Peter Lonnecke; Evamarie Hey-Hawkins; Chem.Commun. 49 (2013) 7355–; doi:10.1039/c3cc44571b

data_7109624
_publ_section_title
;
 1,2,3,4-Tetramesityl-1,4-bis(tri-n-butyltin)tetraphosphane: synthesis and
 molecular structure
;
_journal_name_full               Chem.Commun.
_journal_page_first              7355
_journal_paper_doi               10.1039/c3cc44571b
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C60 H98 P4 Sn2'
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_chemical_name_systematic
;
 ?
;
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_cell_angle_alpha                110.296(2)
_cell_angle_beta                 99.499(2)
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_cell_formula_units_Z            1
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_cell_measurement_temperature    200(2)
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;
        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
        (compiled May  6 2009,17:20:42)
;
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        CrysAlisPro, Oxford Diffraction Ltd.,
        Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
        (compiled May  6 2009,17:20:42)
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        CrysAlisPro, Oxford Diffraction Ltd.,
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        (compiled May  6 2009,17:20:42)
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_computing_molecular_graphics
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 ORTEP3 for Windows
 L. J. Farrugia, J. Appl. Crystallogr. 1997, 30, 565.
;
_computing_publication_material
;
 WINGX
 L.J. Farrugia,
 J. Appl. Cryst., 1999, 32, 837-838.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
 SIR92
 A. Altomare, G. Cascarano, C. Giacovazzo and A. Guagliardi,
 J. Appl. Crystallogr. 1993, 26, 343-350.
;
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0245906525
_diffrn_orient_matrix_UB_12      0.0318622794
_diffrn_orient_matrix_UB_13      -0.0286438208
_diffrn_orient_matrix_UB_21      0.0629369902
_diffrn_orient_matrix_UB_22      0.0412156623
_diffrn_orient_matrix_UB_23      0.0427771108
_diffrn_orient_matrix_UB_31      0.0446976833
_diffrn_orient_matrix_UB_32      -0.0343638282
_diffrn_orient_matrix_UB_33      -0.0159405973
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       13
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_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    0.931
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_exptl_absorpt_correction_T_min  0.92977
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_exptl_absorpt_process_details
;
        CrysAlisPro, Oxford Diffraction Ltd.,
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        (compiled May  6 2009,17:20:42)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             618
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.379
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     339
_refine_ls_number_reflns         9560
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0349
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0424P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0651
_refine_ls_wR_factor_ref         0.0671
_reflns_number_gt                7798
_reflns_number_total             9560
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc44571b.txt
_cod_data_source_block           x0837fin
_cod_original_cell_volume        1569.89(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7109624