Structural diversities and gas adsorption properties of a family of rod-packing lanthanide‒organic frameworks based on cyclotriphosphazene-functionalized hexacarboxylate derivatives
Bai, Dongjie; Wang, Yao; He, Minghui; Gao, Xiaoxia; He, Yabing; Inorganic Chemistry Frontiers 5 (2018) 2227–; doi:10.1039/C8QI00575C

data_4349873
_publ_section_title
;
 Structural diversities and gas adsorption properties of a family of
 rod-packing lanthanide--organic frameworks based on
 cyclotriphosphazene-functionalized hexacarboxylate derivatives
;
_journal_issue                   9
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              2227
_journal_paper_doi               10.1039/C8QI00575C
_journal_volume                  5
_journal_year                    2018
_chemical_formula_sum            'C51 H43 Ho2 N4 O19 P3'
_chemical_formula_weight         1438.66
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-06-19 deposited with the CCDC.
2018-07-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.783(5)
_cell_angle_gamma                90
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_cell_volume                     10638(2)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0499
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_max       70
_diffrn_reflns_limit_h_min       -70
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_diffrn_reflns_theta_max         27.614
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_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.124
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_exptl_absorpt_correction_type   empirical
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_exptl_crystal_description       block
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_refine_diff_density_max         1.296
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_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0720P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                11278
_reflns_number_total             12331
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8qi00575c2.cif
_cod_data_source_block           zjnu-66
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4349873
_shelx_shelxl_version_number     2014/7
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