Heterodinuclear M(II)-Ln(III) single molecule magnets constructed from exchange-coupled single ion magnets.
Xie, Qi-Wei; Wu, Shu-Qi; Shi, Wen-Bo; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong; Dalton transactions (Cambridge, England : 2003) 43 (2014) 11309–11316; doi:10.1039/c4dt00740a

data_7030403
_publ_section_title
;
 Heterodinuclear M(II)-Ln(III) single molecule magnets constructed from
 exchange-coupled single ion magnets.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11309
_journal_page_last               11316
_journal_paper_doi               10.1039/c4dt00740a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C74 H73.5 Co Dy N5.5 O10'
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_chemical_name_systematic
;
 ?
;
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_cell_length_b                   15.4553(18)
_cell_length_c                   17.974(2)
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_cell_measurement_temperature    143(2)
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_cell_measurement_theta_min      2.3529
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_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      143(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
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_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36399
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         2.353
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    1.434
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8682
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_description       Block
_exptl_crystal_F_000             1458
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_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.350
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_refine_diff_density_min         -0.829
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         14360
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0340
_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^)+(0.0302P)^2^+2.6548P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0796
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13858
_reflns_number_total             14360
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4dt00740a2.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7030401--7030404.cif.
;
_cod_original_cell_volume        3307.9(7)
_cod_original_formula_sum        'C74 H73.50 Co Dy N5.50 O10'
_cod_database_code               7030403
_shelx_estimated_absorpt_t_min   0.534
_shelx_estimated_absorpt_t_max   0.634
_shelxl_version_number           2013-2
_shelx_res_checksum              79813