Porous frameworks constructed by non-covalent linking of substitution-inert metal complexes.
Itoh, Takahiro; Kondo, Mio; Sakamoto, Hirotoshi; Wakabayashi, Kaori; Kanaike, Mari; Itami, Kenichiro; Masaoka, Shigeyuki; Dalton transactions (Cambridge, England : 2003) 44 (2015) 15334–15342; doi:10.1039/c5dt01620g

data_7035910
_publ_section_title
;
 Porous frameworks constructed by non-covalent linking of
 substitution-inert metal complexes.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15334
_journal_page_last               15342
_journal_paper_doi               10.1039/c5dt01620g
_journal_volume                  44
_journal_year                    2015
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C68 H32 F20 O10 Rh2'
_chemical_formula_sum            'C68 H32 F20 O10 Rh2'
_chemical_formula_weight         1594.76
_chemical_name_systematic
;
Rh_2_ppeb_4_THF
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2015-02-13T19:29:09-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2015-02-13 deposited with the CCDC.
2015-07-17 downloaded from the CCDC.
;
_cell_angle_alpha                90.000(0)
_cell_angle_beta                 107.48220(123)
_cell_angle_gamma                90.000(0)
_cell_formula_units_Z            2
_cell_length_a                   18.64491(74)
_cell_length_b                   27.22668(140)
_cell_length_c                   8.89324(38)
_cell_measurement_reflns_used    15559
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.495
_cell_measurement_theta_min      2.995
_cell_measurement_wavelength     0.710747
_cell_volume                     4306.0(3)
_computing_cell_refinement       'RAPID AUTO (Rigaku)'
_computing_data_collection       'RAPID AUTO (Rigaku)'
_computing_data_reduction        'RAPID AUTO (Rigaku)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Giacovazzo et al, 1997)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.710747
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_unetI/netI     0.0256
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            16842
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         25
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    0.471
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8209
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1955)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.23
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             1580
_exptl_crystal_size_max          0.286
_exptl_crystal_size_mid          0.047
_exptl_crystal_size_min          0.021
_platon_squeeze_details
;
;
_refine_diff_density_max         1.411
_refine_diff_density_min         -1.491
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         3892
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.178
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.066
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0609P)^2^+53.6316P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1724
_refine_ls_wR_factor_ref         0.1742
_reflns_number_gt                3549
_reflns_number_total             3892
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            c5dt01620g2.cif
_cod_data_source_block           Rh_2_ppeb_4_THF
_cod_depositor_comments
'Adding full bibliography for 7035910--7035912.cif.'
_cod_original_cell_volume        4306.03(34)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               7035910