Novel silver diselenophosphate clusters: structures of Ag10(µ10-Se)[Se2P(OEt)2]8 and {Ag[Se2P(OPri)2]}6Metal dialkyl diselenophosphates. Part 5. For preceding paper see ref. 1.
Liu, C. W.; Shang, Iu-Jie; Hung, Chiu-Mine; Wang, Ju-Chung; Keng, Tai-Chiun; Journal of the Chemical Society, Dalton Transactions  (2002) 1974–; doi:10.1039/b111095k

data_7011386
_publ_section_title
;
 Novel silver diselenophosphate clusters: structures of
 Ag10(&#x00B5;10-Se)[Se2P(OEt)2]8 and {Ag[Se2P(OPri)2]}6Metal dialkyl
 diselenophosphates. Part 5. For preceding paper see ref. 1.
;
_journal_issue                   9
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1974
_journal_paper_doi               10.1039/b111095k
_journal_year                    2002
_chemical_formula_sum            'C34 H85 Ag10 O16.5 P8 Se17'
_chemical_formula_weight         3426.80
_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                 107.8720(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   49.153(3)
_cell_length_b                   14.9447(9)
_cell_length_c                   25.3060(15)
_cell_measurement_temperature    298(2)
_cell_volume                     17692.2(18)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.778
_diffrn_measured_fraction_theta_max 0.778
_diffrn_measurement_method       '\w 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  0.0430
_diffrn_reflns_av_sigmaI/netI    0.0385
_diffrn_reflns_limit_h_max       57
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            24371
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    9.348
_exptl_absorpt_correction_T_max  0.5128
_exptl_absorpt_correction_T_min  0.2620
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    2.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NUGGET
_exptl_crystal_F_000             12712
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.44
_refine_diff_density_max         2.210
_refine_diff_density_min         -1.708
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     767
_refine_ls_number_reflns         12086
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0917
_refine_ls_R_factor_gt           0.0714
_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^)+(0.0677P)^2^+354.4878P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1703
_refine_ls_wR_factor_ref         0.1857
_reflns_number_gt                9086
_reflns_number_total             12086
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b111095k.txt
_cod_data_source_block           ag10
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        17692.0(18)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C34 H85 Ag10 O16.50 P8 Se17'
_cod_database_code               7011386