<i>catena</i>-Poly[[(ethanol-κ<i>O</i>)sodium(I)]-di-μ-aqua-[(<i>rac</i>-2'-hydroxy-1,1'-binaphthyl-2-yl phosphato-κ<i>O</i>)sodium]-tri-μ-aqua]
Tachibana, Yuya; Maeda, Yasukatsu; Acta Crystallographica Section E 65 (2009) m753–; doi:10.1107/S1600536809021394

data_2222379
_publ_section_title
;<i>catena</i>-Poly[[(ethanol-\k<i>O</i>)sodium(I)]-di-\m-aqua-[(<i>rac</i>-2'-hydroxy-1,1'-binaphthyl-2-yl
 phosphato-\k<i>O</i>)sodium]-tri-\m-aqua]
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m753
_journal_paper_doi               10.1107/S1600536809021394
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Na2 (C20 H13 O5 P) (C2 H6 O) (H2 O)5]'
_chemical_formula_moiety         'C22 H29 Na2 O11 P'
_chemical_formula_sum            'C22 H29 Na2 O11 P'
_chemical_formula_weight         546.40
_chemical_name_systematic
;
<i>catena</i>-Poly[[(ethanol-\k<i>O</i>)sodium(I)]-di-\m-aqua-
[(<i>rac</i>-2'-hydroxy-1,1'-binaphthyl-2-yl phosphato-\k<i>O</i>)sodium]-
tri-\m-aqua]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 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                 100.033(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.121(4)
_cell_length_b                   9.816(3)
_cell_length_c                   20.198(7)
_cell_measurement_reflns_used    19717
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2561.6(14)
_computing_cell_refinement       '<i>PROCESS-AUTO</i> (Rigaku, 1998)'
_computing_data_collection       '<i>PROCESS-AUTO</i> (Rigaku, 1998)'
_computing_data_reduction        '<i>CrystalStructure</i> (Rigaku/MSC, 2004)'
_computing_molecular_graphics    '<i>ORTEP-3 for Windows</i> (Farrugia, 1997)'
_computing_publication_material  '<i>CrystalStructure</i> (Rigaku/MSC, 2004)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SIR92</i> (Altomare <i>et al.</i>, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 5.00
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_av_sigmaI/netI    0.0245
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            24950
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    0.198
_exptl_absorpt_correction_T_max  0.9804
_exptl_absorpt_correction_T_min  0.8736
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>ABSCOR</i>; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.361
_refine_diff_density_min         -0.460
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         5829
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0682P)^2^+0.7208P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1076
_refine_ls_wR_factor_ref         0.1141
_reflns_number_gt                5045
_reflns_number_total             5829
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            is2427.cif
_cod_data_source_block           I
_cod_original_cell_volume        2561.7(14)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2222379
_cod_database_fobs_code          2222379