Pentanuclear Lanthanide Mono-organophosphates: Synthesis, Structure, and Magnetism.
Gupta, Sandeep K.; Langley, Stuart K.; Sharma, Kamna; Murray, Keith S.; Murugavel, Ramaswamy; Inorganic chemistry 56 (2017) 3946–3960; doi:10.1021/acs.inorgchem.6b03014

data_4345623
_publ_section_title
;
 Pentanuclear Lanthanide Mono-organophosphates: Synthesis, Structure, and
 Magnetism.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3946
_journal_page_last               3960
_journal_paper_doi               10.1021/acs.inorgchem.6b03014
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         'C79 H137 Eu5 N2 O42 P6, 4(C H4 O), O, C'
_chemical_formula_sum            'C84 H153 Eu5 N2 O47 P6'
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_chemical_name_systematic
;
 ?
;
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2012
_cell_angle_alpha                99.462(3)
_cell_angle_beta                 90.702(3)
_cell_angle_gamma                105.645(4)
_cell_formula_units_Z            2
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_cell_length_b                   16.970(4)
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_cell_measurement_reflns_used    13366
_cell_measurement_temperature    150(2)
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_computing_cell_refinement
;
CrystalClear-SM Expert 2.0 r3 (Rigaku, 2009)
;
_computing_data_collection
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CrystalClear-SM Expert 2.0 r3 (Rigaku, 2009)
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_computing_data_reduction
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CrystalClear-SM Expert 2.0 r3 (Rigaku, 2009)
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_diffrn_ambient_temperature      150(2)
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Rigaku Saturn724+ (2x2 bin mode)
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_diffrn_reflns_limit_l_min       -21
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_diffrn_source                   'fine-focus sealed tube'
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_refine_diff_density_min         -1.356
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_reflns         20070
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.076
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0332P)^2^+20.2573P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0787
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19451
_reflns_number_total             20070
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b03014_si_002.cif
_cod_data_source_block           3_SKG424
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/home/data/users/saulius/crontab/automatic-downloads/current/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 
;
_cod_database_code               4345623
_shelx_estimated_absorpt_t_min   0.600
_shelx_estimated_absorpt_t_max   0.600
_shelxl_version_number           2012-9
_shelx_res_checksum              31947
_shelx_hkl_checksum              97750