Low temperature isolation of a dinuclear silver complex of the cyclotetraphosphane [ClP(μ-PMes*)]2.
Bresien, Jonas; Schulz, Axel; Villinger, Alexander; Dalton transactions (Cambridge, England : 2003) 45 (2015) 498–501; doi:10.1039/c5dt03928b

data_7037497
_publ_section_title
;
 Low temperature isolation of a dinuclear silver complex of the
 cyclotetraphosphane [ClP(\m-PMes*)]2.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              498
_journal_page_last               501
_journal_paper_doi               10.1039/c5dt03928b
_journal_volume                  45
_journal_year                    2015
_chemical_formula_moiety
'C72 H116 P8 Cl4 Ag2 2+, 2(C12 H4 O4 F24 Al -), 6.80(C H2 Cl2)'
_chemical_formula_sum            'C102.8 H137.6 Ag2 Al2 Cl17.6 F48 O8 P8'
_chemical_formula_weight         3554.70
_chemical_name_systematic
;
 ?
;
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-08-10 deposited with the CCDC.
2015-12-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.717(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.6865(7)
_cell_length_b                   20.7791(12)
_cell_length_c                   27.4127(14)
_cell_measurement_reflns_used    9981
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.75
_cell_measurement_theta_min      2.45
_cell_volume                     7604.7(7)
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_collection       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  SHELXL-2013
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Apex Kappa II-CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0683
_diffrn_reflns_av_unetI/netI     0.0562
_diffrn_reflns_laue_measured_fraction_full 0.998
_diffrn_reflns_laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            82352
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.523
_exptl_absorpt_coefficient_mu    0.768
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3579
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.765
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1422
_refine_ls_number_reflns         14940
_refine_ls_number_restraints     2115
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0993
_refine_ls_R_factor_gt           0.0557
_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^)+(0.0495P)^2^+14.6000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1235
_refine_ls_wR_factor_ref         0.1461
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9819
_reflns_number_total             14940
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt03928b2.cif
_cod_data_source_block           jb166_[Mes2P4Cl2Ag]2_2[Al(ORF)4]_CH2Cl2_solvate
_cod_depositor_comments          'Adding full bibliography for 7037497.cif.'
_cod_original_formula_sum        'C102.80 H137.60 Ag2 Al2 Cl17.60 F48 O8 P8'
_cod_database_code               7037497
_shelx_estimated_absorpt_t_min   0.775
_shelx_estimated_absorpt_t_max   0.907
_shelxl_version_number           2013-4
_shelx_res_checksum              13901