Racemic metal phosphonates based on 2-phenyl-2-(phosphonomethylamino)acetate.
Zhu, Hui; Huang, Jian; Bao, Song-Song; Ren, Min; Zheng, Li-Min; Dalton transactions (Cambridge, England : 2003) 42 (2013) 14075–14080; doi:10.1039/c3dt51742j

data_7021962
_publ_section_title
;
 Racemic metal phosphonates based on
 2-phenyl-2-(phosphonomethylamino)acetate.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14075
_journal_page_last               14080
_journal_paper_doi               10.1039/c3dt51742j
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C28 H30 N4 Ni2 O11 P2'
_chemical_formula_sum            'C28 H30 N4 Ni2 O11 P2'
_chemical_formula_weight         777.92
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 71.471(3)
_cell_angle_gamma                64.941(3)
_cell_formula_units_Z            4
_cell_length_a                   13.9378(9)
_cell_length_b                   15.0600(10)
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_cell_measurement_reflns_used    8103
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.828
_cell_measurement_theta_min      2.468
_cell_volume                     3136.7(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXL-2013
_computing_publication_material  SHELXL-2013
_computing_structure_refinement  SHELXL-2013
_computing_structure_solution    SHELXL-2013
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX II'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    1.369
_exptl_absorpt_correction_T_max  0.876
_exptl_absorpt_correction_T_min  0.725
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_description       block
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.3
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0503
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0500P)^2^+0.5500P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1228
_refine_ls_wR_factor_ref         0.1238
_reflns_number_gt                8788
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51742j.txt
_cod_data_source_block           sad
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_cod_database_code               7021962