Tuning the architectures of polyoxometalate-templated complexes by changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D chains to 2D networks based on different (CuL)n loops
Wang, Xiuli; Xu, Chuang; Lin, Hongyan; Liu, Guocheng; Yang, Song; Gao, Qiang; Tian, Aixiang; CrystEngComm 14 (2012) 5836–; doi:10.1039/c2ce25371b

data_7214665
_publ_section_title
;
 Tuning the architectures of polyoxometalate-templated complexes by
 changing the spacer lengths of bis-pyridyl-bis-amide ligands (L): from 1D
 chains to 2D networks based on different (CuL)n loops
;
_journal_issue                   18
_journal_name_full               CrystEngComm
_journal_page_first              5836
_journal_paper_doi               10.1039/c2ce25371b
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C48 H84 Cu2 Mo12 N12 O61 Si'
_chemical_formula_weight         3111.72
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 91.589(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.702(3)
_cell_length_b                   21.936(3)
_cell_length_c                   14.7045(15)
_cell_measurement_temperature    293(2)
_cell_volume                     8932.1(18)
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0504
_diffrn_reflns_av_sigmaI/netI    0.0599
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22236
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    2.216
_exptl_absorpt_correction_T_max  0.6296
_exptl_absorpt_correction_T_min  0.5758
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.314
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6080
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.945
_refine_diff_density_min         -1.169
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         7860
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.1128
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0735P)^2^+86.4238P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1668
_refine_ls_wR_factor_ref         0.1841
_reflns_number_gt                4799
_reflns_number_total             7860
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25371b.txt
_cod_data_source_block           2
_cod_original_cell_volume        8932.1(16)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7214665