Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.
Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard; Inorganic chemistry 55 (2016) 12105–12109; doi:10.1021/acs.inorgchem.6b02196

data_4349257
_publ_section_title
;
 Cadmium Compounds with an [N<sub>3</sub>C] Atrane Motif: Evidence for the
 Generation of a Cadmium Hydride Species.
;
_journal_issue                   23
_journal_name_full               'Inorganic chemistry'
_journal_page_first              12105
_journal_page_last               12109
_journal_paper_doi               10.1021/acs.inorgchem.6b02196
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C40 H30 Cd2 N8 O2 S6'
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_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
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_cell_angle_beta                 111.394(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   10.148(3)
_cell_length_c                   13.907(4)
_cell_measurement_reflns_used    9983
_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      2.49
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0609
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_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         30.718
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_exptl_absorpt_correction_T_max  0.8756
_exptl_absorpt_correction_T_min  0.6466
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
_exptl_crystal_F_000             2136
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_refine_ls_R_factor_all          0.0747
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0689P)^2^+2.2556P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             6476
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        4177.1(19)
_cod_original_sg_symbol_H-M      'C 2/c'
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_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.876
_shelx_res_checksum              16253
_shelx_hkl_checksum              76527