Self-assembly of novel 3d‒4d‒4f heterometal‒organic framework based on double-stranded helical motifs
Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping; Dalton Transactions  (2009) 2281–2283; doi:10.1039/b821295n

data_7000833
_publ_section_title
;
 Self-assembly of novel 3d--4d--4f heterometal--organic framework based
 on double-stranded helical motifs
;
_journal_issue                   13
_journal_name_full               'Dalton Transactions'
_journal_page_first              2281
_journal_page_last               2283
_journal_paper_doi               10.1039/b821295n
_journal_year                    2009
_chemical_formula_moiety         'C21 H36 Cd Co Eu N3 O29'
_chemical_formula_sum            'C21 H36 Cd Co Eu N3 O29'
_chemical_formula_weight         1117.82
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 110.22(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9716(18)
_cell_length_b                   24.550(5)
_cell_length_c                   18.082(5)
_cell_measurement_reflns_used    8656
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.9604
_cell_measurement_theta_min      1.6589
_cell_volume                     3737.2(17)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0507
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28185
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    2.767
_exptl_absorpt_correction_T_max  0.9467
_exptl_absorpt_correction_T_min  0.8974
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.987
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2212
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.460
_refine_diff_density_min         -0.955
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     669
_refine_ls_number_reflns         6583
_refine_ls_number_restraints     270
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0416
_refine_ls_shift/su_max          0.161
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0403P)^2^+23.9989P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1025
_reflns_number_gt                6014
_reflns_number_total             6583
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b821295n.txt
_cod_data_source_block           r70930c
_cod_original_cell_volume        3737.2(15)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7000833