Kinetically Controlling Phase Transformations of Crystalline Mercury Selenidostannates through Surfactant Media
Wei-Wei Xiong; Pei-Zhou Li; Tian-Hua Zhou; Alfred Iing Yoong Tok; Rong Xu; Yanli Zhao; Qichun Zhang; Inorganic Chemistry 52 (2013) 4148–4150; doi:10.1021/ic4002169

data_4334517
_publ_section_title
;
 Kinetically Controlling Phase Transformations of Crystalline Mercury
 Selenidostannates through Surfactant Media
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4148
_journal_page_last               4150
_journal_paper_doi               10.1021/ic4002169
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'Hg2 Se7 Sn2, C18 H34 N4'
_chemical_formula_sum            'C18 H34 Hg2 N4 Se7 Sn2'
_chemical_formula_weight         1497.77
_chemical_name_systematic
; 
 ? 
;
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
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_cell_angle_beta                 79.51(3)
_cell_angle_gamma                70.14(3)
_cell_formula_units_Z            2
_cell_length_a                   10.390(2)
_cell_length_b                   12.244(2)
_cell_length_c                   13.977(3)
_cell_measurement_reflns_used    16186
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26
_cell_measurement_theta_min      2.75
_cell_volume                     1644.4(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2003'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_sigmaI/netI    0.0649
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14309
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.18
_exptl_absorpt_coefficient_mu    18.573
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.3979
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.025
_exptl_crystal_description       block
_exptl_crystal_F_000             1336
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         3.265
_refine_diff_density_min         -2.142
_refine_diff_density_rms         0.227
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         6427
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_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0772
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0419P)^2^+21.9532P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1095
_refine_ls_wR_factor_ref         0.1230
_reflns_number_gt                4620
_reflns_number_total             6427
_reflns_threshold_expression     >2sigma(I)
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