Custom Coordination Environments for Lanthanoids: Tripodal Ligands Achieve Near-Perfect Octahedral Coordination for Two Dysprosium-Based Molecular Nanomagnets.
Lim, Kwang Soo; Baldoví, José J; Jiang, ShangDa; Koo, Bong Ho; Kang, Dong Won; Lee, Woo Ram; Koh, Eui Kwan; Gaita-Ariño, Alejandro; Coronado, Eugenio; Slota, Michael; Bogani, Lapo; Hong, Chang Seop; Inorganic chemistry 56 (2017) 4911–4917; doi:10.1021/acs.inorgchem.6b03118

data_4345707
_publ_section_title
;
 Custom Coordination Environments for Lanthanoids: Tripodal Ligands
 Achieve Near-Perfect Octahedral Coordination for Two Dysprosium-Based
 Molecular Nanomagnets.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4911
_journal_page_last               4917
_journal_paper_doi               10.1021/acs.inorgchem.6b03118
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C46 H94 Co2 Dy F6 O18 P7'
_chemical_formula_weight         1546.36
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
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_cell_measurement_theta_max      18.708
_cell_measurement_theta_min      2.322
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_computing_cell_refinement       'Bruker SMART APEXll'
_computing_data_collection       'Bruker SMART APEXll'
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_computing_molecular_graphics    WingX
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_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi scan'
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            yellow
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_refine_ls_number_reflns         7682
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.1494
_refine_ls_R_factor_gt           0.0726
_refine_ls_shift/su_max          0.040
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0644P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1387
_refine_ls_wR_factor_ref         0.1695
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4176
_reflns_number_total             7682
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b03118_si_003.cif
_cod_data_source_block           complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 4345707.cif.
;
_cod_original_cell_volume        6726.9(10)
_cod_database_code               4345707
_shelx_shelxl_version_number     2016/4
_shelx_estimated_absorpt_t_min   0.820
_shelx_estimated_absorpt_t_max   0.875
_shelx_res_checksum              72971
_shelx_hkl_checksum              4783