Copper(II) Nanoballs as monomers for polyurethane coatings: synthesis, urethane derivatization and kinetic stability
Tonigold, Markus; Hitzbleck, Julia; Bahnmüller, Stefan; Langstein, Gerhard; Volkmer, Dirk; Dalton Transactions  (2009) 1363–; doi:10.1039/b811004b

data_7000543
_publ_section_title
;
 Copper(II) Nanoballs as monomers for polyurethane coatings: synthesis,
 urethane derivatization and kinetic stability
;
_journal_issue                   8
_journal_name_full               'Dalton Transactions'
_journal_page_first              1363
_journal_paper_doi               10.1039/b811004b
_journal_year                    2009
_chemical_formula_sum            'C343 H536 Cu24 O213 S36'
_chemical_formula_weight         10746.84
_chemical_name_common
;
tetracosakis(mu4-5-(2-Hydroxyethoxy)benzene-1,3-
dicarboxylato)-diaqua-tetradecakis(dimethylsulfoxid)-octamethanol-
tetracosa-copper(ii) dimethylsulfoxide methanol solvate
;
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/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                 95.64(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   26.220(5)
_cell_length_b                   39.060(8)
_cell_length_c                   26.643(5)
_cell_measurement_temperature    223(2)
_cell_volume                     27154(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.925
_diffrn_measured_fraction_theta_max 0.925
_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  0.1170
_diffrn_reflns_av_sigmaI/netI    0.3142
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            85619
_diffrn_reflns_theta_full        24.09
_diffrn_reflns_theta_max         24.09
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    1.139
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             11140
_refine_diff_density_max         1.994
_refine_diff_density_min         -0.829
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.850
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2440
_refine_ls_number_reflns         39811
_refine_ls_number_restraints     243
_refine_ls_restrained_S_all      0.853
_refine_ls_R_factor_all          0.2458
_refine_ls_R_factor_gt           0.1002
_refine_ls_shift/su_max          4.722
_refine_ls_shift/su_mean         0.147
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1470P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2492
_refine_ls_wR_factor_ref         0.3079
_reflns_number_gt                12226
_reflns_number_total             39811
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b811004b.txt
_cod_data_source_block           ton615
_cod_database_code               7000543