Fast and continuous processing of a new sub-micronic lanthanide-based metal‒organic framework
D'Arras, Loïc; Sassoye, Capucine; Rozes, Laurence; Sanchez, Clément; Marrot, Jérôme; Marre, Samuel; Aymonier, Cyril; New Journal of Chemistry 38 (2014) 1477–; doi:10.1039/c3nj01371e

data_7054006
_publ_section_title
;
 Fast and continuous processing of a new sub-micronic lanthanide-based
 metal--organic framework
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1477
_journal_paper_doi               10.1039/c3nj01371e
_journal_volume                  38
_journal_year                    2014
_chemical_formula_sum            'C72 H58 Ce5 N4 O34'
_chemical_formula_weight         2223.82
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                89.985(4)
_cell_angle_beta                 86.890(4)
_cell_angle_gamma                89.747(4)
_cell_formula_units_Z            2
_cell_length_a                   14.1051(13)
_cell_length_b                   15.3365(13)
_cell_length_c                   17.8162(15)
_cell_measurement_reflns_used    9968
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.98
_cell_measurement_theta_min      2.65
_cell_volume                     3848.3(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 512x512
_diffrn_measured_fraction_theta_full 0.914
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_av_unetI/netI     0.0591
_diffrn_reflns_Laue_measured_fraction_full 0.914
_diffrn_reflns_Laue_measured_fraction_max 0.927
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_diffrn_reflns_limit_h_min       -16
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_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            56287
_diffrn_reflns_point_group_measured_fraction_full 0.914
_diffrn_reflns_point_group_measured_fraction_max 0.927
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.130
_diffrn_reflns_theta_min         1.145
_exptl_absorpt_coefficient_mu    2.991
_exptl_absorpt_correction_T_max  0.754
_exptl_absorpt_correction_T_min  0.663
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, V2.10)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.919
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             2160
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_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         3.737
_refine_diff_density_min         -1.229
_refine_diff_density_rms         0.456
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         12734
_refine_ls_number_restraints     596
_refine_ls_restrained_S_all      1.153
_refine_ls_R_factor_all          0.1738
_refine_ls_R_factor_gt           0.1600
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+826.0183P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3717
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                10875
_reflns_number_total             12734
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c3nj01371e.txt
_cod_data_source_block           1
_cod_database_code               7054006
_shelxl_version_number           2013-4