Pyrazolylcyclotriphosphazene Containing Pendant Polymers: Synthesis, Characterization, and Phosphate Ester Hydrolysis Using a Cu(II)-Metalated Cross-Linked Polymeric Catalyst
Vadapalli Chandrasekhar; Arunachalampillai Athimoolam; S. G. Srivatsan; P. Shanmuga Sundaram; Sandeep Verma; Alexander Steiner; Stefano Zacchini; Raymond Butcher; Inorganic Chemistry 41 (2002) 5162–5173; doi:10.1021/ic011159v

data_4318541
_publ_section_title
;
 Pyrazolylcyclotriphosphazene Containing Pendant Polymers: Synthesis,
 Characterization, and Phosphate Ester Hydrolysis Using a Cu(II)-Metalated
 Cross-Linked Polymeric Catalyst
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5162
_journal_page_last               5173
_journal_paper_doi               10.1021/ic011159v
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C34 H44 Cl6 Cu N13 O2 P3'
_chemical_formula_weight         1035.97
_chemical_name_systematic
;
   ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.707(4)
_cell_angle_beta                 101.508(4)
_cell_angle_gamma                98.858(4)
_cell_formula_units_Z            2
_cell_length_a                   12.387(3)
_cell_length_b                   13.374(3)
_cell_length_c                   14.833(4)
_cell_measurement_temperature    150(2)
_cell_volume                     2328.2(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker AXS Smart Apex'
_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  0.0183
_diffrn_reflns_av_sigmaI/netI    0.0407
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11765
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    0.963
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1062
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.824
_refine_diff_density_min         -0.557
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     588
_refine_ls_number_reflns         8059
_refine_ls_number_restraints     94
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0503
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0791P)^2^+3.5913P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1374
_refine_ls_wR_factor_ref         0.1456
_reflns_number_gt                6868
_reflns_number_total             8059
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic011159v_3.cif
_cod_data_source_block           vc4m
_cod_original_cell_volume        2328.3(10)
_cod_database_code               4318541