Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates
Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.; New Journal of Chemistry 31 (2007) 634–; doi:10.1039/b614681c

data_7052101
_publ_section_title
;
 Structural versatility in hydrated rare earth(iii)
 1,2-benzenedisulfonates
;
_journal_issue                   5
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              634
_journal_paper_doi               10.1039/b614681c
_journal_volume                  31
_journal_year                    2007
_chemical_formula_moiety
'C6 H16 O12 S2 Sm, C12 H16 O16 S4 Sm, 8.25(H2 O)'
_chemical_formula_sum            'C18 H48.5 O36.25 S6 Sm2'
_chemical_formula_weight         1338.17
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_cell_angle_alpha                103.4760(10)
_cell_angle_beta                 98.6790(10)
_cell_angle_gamma                100.9670(10)
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_cell_length_a                   8.6666(5)
_cell_length_b                   14.2258(6)
_cell_length_c                   19.4202(7)
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_cell_measurement_temperature    150
_cell_measurement_theta_max      37.4
_cell_measurement_theta_min      2.4
_cell_volume                     2237.55(18)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
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_diffrn_ambient_temperature      150
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_diffrn_measured_fraction_theta_max .98
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_k_min       -24
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_diffrn_reflns_theta_min         1.61
_diffrn_standards_decay_%        0
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_exptl_absorpt_coefficient_mu    2.986
_exptl_absorpt_correction_T_max  .79
_exptl_absorpt_correction_T_min  .57
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_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
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_refine_ls_shift/su_max          .038
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w=1/(sig^2(F) + .0003F^2)
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .037
_refine_ls_wR_factor_ref         .035
_reflns_d_resolution_high        .583
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_reflns_Friedel_coverage         0
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_reflns_threshold_expression     'F > 4.00 sig(F )'
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