X-Ray crystal structure of [Ag4(μ-dppm)2(μ-C2F5COO)4]. Synthesis and spectroscopy of silver(I) perfluorinated carboxylate complexes with bis(diphenylphosphino)methane
Edward Szłyk; Iwona Szymańska; Andrzej Surdykowski; Tadeusz Głowiak; Andrzej Wojtczak; Artur Goliński; Dalton Trans.  (2003) 3404–3410; doi:10.1039/b304004f

data_7013067
_publ_section_title
;
 X-Ray crystal structure of [Ag4(\m-dppm)2(\m-C2F5COO)4]. Synthesis and
 spectroscopy of silver(I) perfluorinated carboxylate complexes with
 bis(diphenylphosphino)methane
;
_journal_issue                   17
_journal_name_full               'Dalton Trans.'
_journal_page_first              3404
_journal_page_last               3410
_journal_paper_doi               10.1039/b304004f
_journal_year                    2003
_chemical_formula_sum            'C31 H22 Ag2 F10 O4 P2'
_chemical_formula_weight         926.17
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.56(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.079(5)
_cell_length_b                   13.725(3)
_cell_length_c                   20.382(4)
_cell_measurement_temperature    100(1)
_cell_volume                     6651(3)
_computing_cell_refinement       'Kuma KM4CCD software 1998'
_computing_data_collection       'Kuma KM4CCD software 1998'
_computing_data_reduction        'Kuma KM4CCD software 1998'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 0.473
_diffrn_measured_fraction_theta_max 0.473
_diffrn_measurement_device_type  'Kuma KM4CCD automatic diffractometer'
_diffrn_measurement_method       'profile data from omega/2theta 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  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0259
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            21280
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         3.35
_exptl_absorpt_coefficient_mu    1.366
_exptl_crystal_density_diffrn    1.850
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3632
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.850
_refine_diff_density_min         -0.825
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     548
_refine_ls_number_reflns         7170
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.153
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0316
_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^)+(0.0310P)^2^+20.2550P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0729
_refine_ls_wR_factor_ref         0.0763
_reflns_number_gt                6333
_reflns_number_total             7170
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b304004f.txt
_cod_data_source_block           silver2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0310P)^2^+20.2550P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0310P)^2^+20.2550P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        6651(2)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7013067