Recognition of phosphate monoester dianion by an alkoxide-bridged dinuclear zinc(II) complex.
Kinoshita, Eiji; Takahashi, Makoto; Takeda, Hironori; Shiro, Motoo; Koike, Tohru; Dalton transactions (Cambridge, England : 2003)  (2004) 1189–1193; doi:10.1039/b400269e

data_7014043
_publ_section_title
;
 Recognition of phosphate monoester dianion by an alkoxide-bridged
 dinuclear zinc(II) complex.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1189
_journal_page_last               1193
_journal_paper_doi               10.1039/b400269e
_journal_year                    2004
_chemical_formula_moiety
'C33 H33 N7 O7 P Zn2, Cl O4, H2 O, 2(C2 H6 O)'
_chemical_formula_sum            'C37 H47 Cl N7 O14 P Zn2'
_chemical_formula_weight         1011.00
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.282(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.240(2)
_cell_length_b                   16.441(1)
_cell_length_c                   21.033(2)
_cell_measurement_reflns_used    27223
_cell_measurement_temperature    93.2
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      3.0
_cell_volume                     8528.3(12)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'teXsan (MSC & Rigaku, 1999)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976)'
_computing_publication_material  'teXsan (MSC & Rigaku, 1999)'
_computing_structure_refinement  'teXsan (MSC & Rigaku, 1999)'
_computing_structure_solution    'SIR97 (Altomare, 1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9980
_diffrn_measured_fraction_theta_max 0.9980
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            32195
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_exptl_absorpt_coefficient_mu    1.300
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_correction_T_min  0.697
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4176.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.12
_refine_diff_density_min         -1.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.480
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     526
_refine_ls_number_reflns         7931
_refine_ls_R_factor_gt           0.0653
_refine_ls_shift/su_max          0.0014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.11500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2135
_reflns_number_gt                6627
_reflns_number_total             7932
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b400269e.txt
_cod_data_source_block           compound
_cod_original_cell_volume        8528(1)
_cod_original_formula_sum        'C37 H47 Cl N7 O14 P Zn2 '
_cod_database_code               7014043