The Highly Connected MOFs Constructed from Nonanuclear and Trinuclear Lanthanide-Carboxylate Clusters: Selective Gas Adsorption and Luminescent pH Sensing.
Li, Yun-Jian; Wang, Yu-Ling; Liu, Qing-Yan; Inorganic chemistry 56 (2017) 2159–2164; doi:10.1021/acs.inorgchem.6b02811

data_4345073
_publ_section_title
;
 The Highly Connected MOFs Constructed from Nonanuclear and Trinuclear
 Lanthanide-Carboxylate Clusters: Selective Gas Adsorption and Luminescent
 pH Sensing.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2159
_journal_page_last               2164
_journal_paper_doi               10.1021/acs.inorgchem.6b02811
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C171 H147 Er12 N3 O66'
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_space_group_name_Hall           'P -6c -2c'
_space_group_name_H-M_alt        'P -6 2 c'
_symmetry_space_group_name_Hall  'P -6c -2c'
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_diffrn_measured_fraction_theta_max 0.960
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_diffrn_reflns_av_unetI/netI     0.0374
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_diffrn_reflns_limit_l_min       -37
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_min         3.360
_diffrn_source                   'micro-focus sealed X-ray tube'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             5076
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_exptl_crystal_size_mid          0.100
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_refine_diff_density_min         -1.232
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.236(19)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0666P)^2^+2.5842P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0970
_refine_ls_wR_factor_ref         0.0999
_reflns_Friedel_coverage         0.866
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.961
_reflns_number_gt                10041
_reflns_number_total             10963
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b02811_si_004.cif
_cod_data_source_block           Er
_cod_depositor_comments
'Adding full bibliography for 4345073--4345074.cif.'
_cod_original_cell_volume        12562.9(7)
_cod_database_code               4345073
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.565
_shelx_estimated_absorpt_t_max   0.766
_shelx_res_checksum              42790
_shelx_hkl_checksum              40332