Influence of the coordination environment on slow magnetic relaxation and photoluminescence behavior in two mononuclear dysprosium(iii) based single molecule magnets.
Mondal, Amit Kumar; Goswami, Soumyabrata; Konar, Sanjit; Dalton transactions (Cambridge, England : 2003) 44 (2015) 5086–5094; doi:10.1039/c4dt03620d

data_7033875
_publ_section_title
;
 Influence of the coordination environment on slow magnetic relaxation and
 photoluminescence behavior in two mononuclear dysprosium(iii) based
 single molecule magnets.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5086
_journal_page_last               5094
_journal_paper_doi               10.1039/c4dt03620d
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C23 H20 Dy N6 O9, N O3'
_chemical_formula_sum            'C23 H20 Dy N7 O12'
_chemical_formula_weight         748.96
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-10-08 deposited with the CCDC.
2015-01-30 downloaded from the CCDC.
;
_cell_angle_alpha                85.771(5)
_cell_angle_beta                 85.202(7)
_cell_angle_gamma                86.025(6)
_cell_formula_units_Z            2
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_cell_length_b                   11.659(4)
_cell_length_c                   16.832(5)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.50
_cell_measurement_theta_min      7.29
_cell_volume                     1571.2(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         1.22
_exptl_absorpt_coefficient_mu    2.444
_exptl_absorpt_correction_T_max  0.532
_exptl_absorpt_correction_T_min  0.430
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             738.0
_exptl_crystal_size_max          0.35
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_platon_squeeze_details
; 
 ? 
;
_refine_diff_density_max         1.944
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_refine_ls_R_factor_all          0.0424
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_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.017
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0100P)^2^+10.2881P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1113
_refine_ls_wR_factor_ref         0.1113
_reflns_number_gt                7171
_reflns_number_total             7178
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03620d2.cif
_cod_data_source_block           AMDy2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 7033875--7033876.cif.
;
_cod_original_cell_volume        1571.3(9)
_cod_database_code               7033875