Synthesis and characterisation of alkaline earth bis(diphenylphosphano)metallocene complexes and heterobimetallic alkaline earth metal/platinum(II) complexes [Ae(thf)(x)(η5-C5H4PPh2)2Pt(Me)2] (Ae = Ca, Sr, Ba).
Daniels, Daisy P.; Deacon, Glen B.; Harakat, Dominique; Jaroschik, Florian; Junk, Peter C.; Dalton transactions (Cambridge, England : 2003) 41 (2012) 267–277; doi:10.1039/c1dt11324k

data_7017670
_publ_section_title
;
 Synthesis and characterisation of alkaline earth
 bis(diphenylphosphano)metallocene complexes and heterobimetallic alkaline
 earth metal/platinum(II) complexes [Ae(thf)(x)(\h5-C5H4PPh2)2Pt(Me)2] (Ae
 = Ca, Sr, Ba).
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              267
_journal_page_last               277
_journal_paper_doi               10.1039/c1dt11324k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C54 H70 O4.50 P2 Pt Sr'
_chemical_formula_sum            'C54 H70 O4.5 P2 Pt Sr'
_chemical_formula_weight         1135.75
_chemical_name_common            DP145C
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.93(3)
_cell_angle_beta                 70.99(3)
_cell_angle_gamma                82.52(3)
_cell_formula_units_Z            2
_cell_length_a                   13.084(3)
_cell_length_b                   13.542(3)
_cell_length_c                   15.058(3)
_cell_measurement_reflns_used    25434
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.43
_cell_volume                     2498.6(11)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Hooft, 1999)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'X-Seed (Barbour, 1999)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1135
_diffrn_reflns_av_sigmaI/netI    0.1899
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25434
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    3.972
_exptl_absorpt_correction_T_max  0.8261
_exptl_absorpt_correction_T_min  0.3539
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SORTAV
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needles
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.527
_refine_diff_density_min         -1.661
_refine_diff_density_rms         0.238
_refine_ls_extinction_coef       none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     557
_refine_ls_number_reflns         11393
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1552
_refine_ls_R_factor_gt           0.0710
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0651P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1266
_refine_ls_wR_factor_ref         0.1560
_reflns_number_gt                6656
_reflns_number_total             11393
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt11324k.txt
_cod_data_source_block           10b.CIF
_cod_original_cell_volume        2498.7(9)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C54 H70 O4.50 P2 Pt Sr'
_cod_database_code               7017670