A series of hybrids with a framework constructed from {‒SiW11‒Ln‒SiW11‒}nchains and {Cu/bimpy} ribbons
Zhou, Wanli; Zhang, Zheyu; Peng, Jun; Wang, Xiang; Shi, Zhenyu; Li, Guangzhe; CrystEngComm 16 (2014) 10893–; doi:10.1039/C4CE01409J

data_7218358
_publ_section_title
;
 A series of hybrids with a framework constructed from
 {--SiW11--Ln--SiW11--}nchains and {Cu/bimpy} ribbons
;
_journal_issue                   47
_journal_name_full               CrystEngComm
_journal_page_first              10893
_journal_paper_doi               10.1039/C4CE01409J
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C44 H36 Ce2 Cu5 N20 O88 Si2 W22'
_chemical_formula_sum            'C44 H68 Ce2 Cu5 N20 O94 Si2 W22'
_chemical_formula_weight         7080.00
_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                83.586(5)
_cell_angle_beta                 81.753(5)
_cell_angle_gamma                71.169(5)
_cell_formula_units_Z            1
_cell_length_a                   11.322(5)
_cell_length_b                   12.139(5)
_cell_length_c                   23.311(5)
_cell_measurement_reflns_used    18673
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.09
_cell_volume                     2993.6(19)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction,2006)'
_computing_data_reduction        CrysAlis
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Xcalibur, Ruby, Gemini ultra'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0711
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            18673
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    22.779
_exptl_absorpt_correction_T_max  0.001
_exptl_absorpt_correction_T_min  0.000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Sheldrick, 1996'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    3.927
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3141
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.533
_refine_diff_density_min         -7.334
_refine_diff_density_rms         0.422
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     880
_refine_ls_number_reflns         10514
_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0705
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0464P)^2^+116.7797P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1169
_refine_ls_wR_factor_ref         0.1254
_reflns_number_gt                8246
_reflns_number_total             10514
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01409j2.cif
_cod_data_source_block           ce
_cod_depositor_comments
'Adding full bibliography for 7218354--7218358.cif.'
_cod_database_code               7218358