Unprecedented Marriage of a Cationic Pentanuclear Cluster and a 2D Polymeric Anionic Layer Based on a Flexible Tripodal Ligand and a CuII Ion
Zheng-Bo Han; Guo-Xin Zhang; Ming-Hua Zeng; Da-Qiang Yuan; Qian-Rong Fang; Jian-Rong Li; Joan Ribas; Hong-Cai Zhou; Inorganic Chemistry 49 (2010) 769–771; doi:10.1021/ic902262u

data_4314731
_publ_contact_author
;
      'Han, Zheng-Bo'
      College of Chemistry
      liaoning University
      Shenyang, 110036
      P. R. China
;
_publ_contact_author_email       ceshzb@lnu.edu.cn
_publ_contact_author_fax         86-24-62202380
_publ_contact_author_phone       86-24-62207849
_publ_section_title
;
 Unprecedented Marriage of a Cationic Pentanuclear Cluster and a 2D
 Polymeric Anionic Layer Based on a Flexible Tripodal Ligand and a CuII
 Ion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              769
_journal_page_last               771
_journal_paper_doi               10.1021/ic902262u
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C48 H88 Cu7 N12 O57'
_chemical_formula_weight         2190.08
_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                71.216(2)
_cell_angle_beta                 79.836(2)
_cell_angle_gamma                65.4310(10)
_cell_formula_units_Z            1
_cell_length_a                   11.8612(14)
_cell_length_b                   12.8546(15)
_cell_length_c                   16.8747(19)
_cell_measurement_temperature    293(2)
_cell_volume                     2212.6(4)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker XSCANS'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruke P4 diffractometer'
_diffrn_measurement_method       '\w scan'
_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  0.0243
_diffrn_reflns_av_sigmaI/netI    0.0591
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12113
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.91
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.761
_exptl_absorpt_correction_T_max  0.9640
_exptl_absorpt_correction_T_min  0.5786
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1119
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.901
_refine_diff_density_min         -0.527
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         8515
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0640
_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^)+(0.1212P)^2^+7.8594P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1910
_refine_ls_wR_factor_ref         0.2121
_reflns_number_gt                6275
_reflns_number_total             8515
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic902262u_si_002.cif
_cod_data_source_block           1
_cod_database_code               4314731