Template-assisted self assembly of two lipophilic polyion aggregates derived from sodium tetraphenyl imidodiphosphinate-complexes containing sodium ions in four different coordination environments.
Román-Bravo, Perla; López-Cardoso, Marcela; y García, Patricia García; Höpfl, Herbert; Cea-Olivares, Raymundo; Chemical communications (Cambridge, England)  (2004) 1940–1941; doi:10.1039/b406817c

data_7113407
_publ_section_title
;
 Template-assisted self assembly of two lipophilic polyion aggregates
 derived from sodium tetraphenyl imidodiphosphinate-complexes containing
 sodium ions in four different coordination environments.
;
_journal_issue                   17
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1940
_journal_page_last               1941
_journal_paper_doi               10.1039/b406817c
_journal_year                    2004
_chemical_formula_moiety         'C110 H102 N4 Na4 O14 P8'
_chemical_formula_sum            'C110 H102 N4 Na4 O14 P8'
_chemical_formula_weight         2043.68
_chemical_melting_point          244.0(10)
_chemical_name_systematic
;
?
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 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                 92.4110(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.8021(9)
_cell_length_b                   13.9991(8)
_cell_length_c                   23.2013(13)
_cell_measurement_temperature    100(2)
_cell_volume                     5127.9(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'CRYSTALS, CAMERON'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  '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_R_equivalents  0.0696
_diffrn_reflns_av_sigmaI/netI    0.1238
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            42259
_diffrn_reflns_theta_full        23.30
_diffrn_reflns_theta_max         23.30
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    0.219
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            rectangular
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Colorless
_exptl_crystal_F_000             2132
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.280
_refine_diff_density_rms         0.055
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.46(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.854
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1267
_refine_ls_number_reflns         14810
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      0.854
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0309P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.1025
_reflns_number_gt                9905
_reflns_number_total             14810
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b406817c.txt
_cod_data_source_block           elsachm
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '243-245' was changed to '244.0(10)'
- the average value was taken and precision was
estimated.

'_symmetry_cell_setting' value 'Monoclinic' changed to
'monoclinic' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      Pn
_cod_database_code               7113407