One-dimensional silver(I) coordination polymers containing cyclodiphosphazane, cis-{(o-MeOC(6)H(4)O)P(mu-N(t)Bu)}(2).
Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.; Dalton transactions (Cambridge, England : 2003)  (2007) 2957–2962; doi:10.1039/b704303a

data_7005670
_publ_section_title
;
 One-dimensional silver(I) coordination polymers containing
 cyclodiphosphazane, cis-{(o-MeOC(6)H(4)O)P(mu-N(t)Bu)}(2).
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2957
_journal_page_last               2962
_journal_paper_doi               10.1039/b704303a
_journal_year                    2007
_chemical_formula_moiety         'C46 H64 Ag2 F6 N4 O14 P4 S2'
_chemical_formula_sum            'C46 H64 Ag2 F6 N4 O14 P4 S2'
_chemical_formula_weight         1414.75
_chemical_name_common
;
catena-(bis(mu-trifluoromethanesulfonato-\1kO:\2kO')bis (mu-
(1,3-di-tert-butyl-2,4-bis(o-methoxyphenoxy)-(1,3,2,4)
diazadiphosphetidine-1kappaP:2kappaP')disilver(i))
;
_chemical_name_systematic
;
catena-[bis(\m-trifluoromethanesulfonato-\1kO:\2kO')bis
(\m-(1,3-di-tert-butyl-2,4-bis(o-methoxyphenoxy)-[1,3,2,4]
diazadiphosphetidine-1\kP:2\kP')disilver(I)]
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.127(1)
_cell_length_b                   19.570(2)
_cell_length_c                   21.228(2)
_cell_measurement_reflns_used    2
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.712
_cell_measurement_theta_min      2.392
_cell_volume                     5868.8(9)
_computing_cell_refinement       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_collection       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_reduction        'Bruker SAINT+ (Bruker-AXS, 2004)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_publication_material  'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker-AXS Smart APEX CCD area detector'
_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_sigmaI/netI    0.1246
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            23825
_diffrn_reflns_theta_full        24.76
_diffrn_reflns_theta_max         24.76
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    0.929
_exptl_absorpt_correction_T_max  0.9727
_exptl_absorpt_correction_T_min  0.8975
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TWINABS (Sheldrick, 2007)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2880
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.889
_refine_diff_density_min         -0.892
_refine_diff_density_rms         0.166
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     720
_refine_ls_number_reflns         23827
_refine_ls_number_restraints     390
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.1020
_refine_ls_R_factor_gt           0.0805
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0487P)^2^+9.3250P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1427
_refine_ls_wR_factor_ref         0.1520
_reflns_number_gt                19551
_reflns_number_total             23825
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b704303a.txt
_cod_data_source_block           msb283
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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        5869(1)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               7005670