Facile Construction of Yttrium Pentasulfides from Yttrium Alkyl Precursors: Synthesis, Mechanism, and Reactivity.
Zhang, Fangjun; Zhang, Jie; Zhou, Xigeng; Inorganic chemistry 56 (2017) 2070–2077; doi:10.1021/acs.inorgchem.6b02747

data_4345338
_publ_section_title
;
 Facile Construction of Yttrium Pentasulfides from Yttrium Alkyl
 Precursors: Synthesis, Mechanism, and Reactivity.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2070
_journal_page_last               2077
_journal_paper_doi               10.1021/acs.inorgchem.6b02747
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C40 H54 B2 N12 S5 Y2'
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_chemical_name_systematic
; 
 ? 
;
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_cell_formula_units_Z            2
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_cell_length_b                   16.896(2)
_cell_length_c                   20.087(3)
_cell_measurement_reflns_used    2712
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.31
_cell_measurement_theta_min      2.40
_cell_volume                     2853.4(7)
_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-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0527
_diffrn_reflns_av_unetI/netI     0.1356
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
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_diffrn_reflns_limit_k_min       -21
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_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20208
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.985
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_diffrn_reflns_theta_max         27.000
_diffrn_reflns_theta_min         1.025
_exptl_absorpt_coefficient_mu    2.243
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.663
_exptl_absorpt_correction_type   multi-scan
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_platon_squeeze_details          ' '
_refine_diff_density_max         1.086
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_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         12266
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      0.930
_refine_ls_R_factor_all          0.1239
_refine_ls_R_factor_gt           0.0713
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; 
 w=1/[\s^2^(Fo^2^)+(0.1355P)^2^] 
 where P=(Fo^2^+2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1995
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           mo_50410d
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_cod_database_code               4345338
_shelx_estimated_absorpt_t_min   0.663
_shelx_estimated_absorpt_t_max   0.896
_shelxl_version_number           2013-2
_shelx_res_checksum              86736