Multifaceted Sn-Sn bonding in the solid state. Synthesis and structural characterization of four new Ca-Li-Sn compounds.
Ovchinnikov, Alexander; Bobev, Svilen; Dalton transactions (Cambridge, England : 2003) 48 (2019) 14398–14407; doi:10.1039/c9dt02803j

data_7700960
_publ_section_title
;
 Multifaceted Sn-Sn bonding in the solid state. Synthesis and structural
 characterization of four new Ca-Li-Sn compounds.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14398
_journal_page_last               14407
_journal_paper_doi               10.1039/c9dt02803j
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'Ca4 Li Sn6'
_chemical_formula_weight         879.40
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_space_group_IT_number           57
_space_group_name_Hall           '-P 2c 2b'
_space_group_name_H-M_alt        'P b c m'
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-07-05 deposited with the CCDC.    2019-08-29 downloaded from the CCDC.
;
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_cell_volume                     1210.26(11)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_exptl_crystal_colour            grey
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_exptl_crystal_F_000             1532
_exptl_crystal_size_max          0.108
_exptl_crystal_size_mid          0.094
_exptl_crystal_size_min          0.068
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_refine_ls_extinction_coef       0.00161(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     57
_refine_ls_number_reflns         1448
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.120
_refine_ls_R_factor_all          0.0196
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0145P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0349
_refine_ls_wR_factor_ref         0.0357
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1334
_reflns_number_total             1448
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02803j2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7700960--7700963.cif.'
_cod_database_code               7700960
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.317
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_shelx_res_checksum              11107