Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated by a salicylic schiff-base derivative: synthesis, photoluminescence, and magnetism.
Yadav, Munendra; Mereacre, Valeriu; Lebedkin, Sergei; Kappes, Manfred M.; Powell, Annie K.; Roesky, Peter W.; Inorganic chemistry 54 (2015) 773–781; doi:10.1021/ic5014957

data_4341106
_publ_contact_author
;
      Prof. Dr. Peter W. Roesky
      Karlsruher Institut fuer Technologie (KIT)
      Institut fuer Anorganische Chemie
      Lehrstuhl fuer Anorganische Funktionsmaterialien
      Engesserstr. 15, Geb. 30.45
      76131 Karlsruhe 
      Bundesrepublik Deutschland
;
_publ_section_title
;
 Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated
 by a salicylic schiff-base derivative: synthesis, photoluminescence, and
 magnetism.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              773
_journal_page_last               781
_journal_paper_doi               10.1021/ic5014957
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety
'(C40 H40 Dy N4 O16),3(C H4 O),(H2 O),(c2 H8 N O)'
_chemical_formula_sum            'C45 H62 Dy N5 O21'
_chemical_formula_weight         1171.49
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
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_cell_measurement_temperature    150(2)
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_cell_volume                     5192(3)
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
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_diffrn_reflns_theta_max         25.515
_diffrn_reflns_theta_min         1.588
_exptl_absorpt_coefficient_mu    1.521
_exptl_absorpt_correction_T_max  0.8818
_exptl_absorpt_correction_T_min  0.5482
_exptl_absorpt_correction_type   integration
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_exptl_crystal_colour            yellow
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_exptl_crystal_description       prism
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_refine_diff_density_max         1.925
_refine_diff_density_min         -3.110
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         9652
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0925
_refine_ls_R_factor_gt           0.0728
_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^)+(0.0691P)^2^+36.4119P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1863
_refine_ls_wR_factor_ref         0.1929
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7285
_reflns_number_total             9652
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 4341104--4341108.cif.'
_cod_database_code               4341106
_shelxl_version_number           2013-2
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