Reaction of the Tricyanoborate Dianion [B(CN)3](2-) with HgCl2.
Bernhardt, Eduard; Bernhardt-Pitchougina, Vera; Jenne, Carsten; Inorganic chemistry 56 (2017) 5465–5470; doi:10.1021/acs.inorgchem.7b00541

data_4345821
_publ_section_title
;
 Reaction of the Tricyanoborate Dianion [B(CN)3](2-) with HgCl2.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5465
_journal_page_last               5470
_journal_paper_doi               10.1021/acs.inorgchem.7b00541
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C54 H40 B2 Hg N6 P2'
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_chemical_name_systematic
;
 ?
;
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_computing_cell_refinement       'CrysAlisPro171.36.24, Oxford Diffraction'
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'Gemini E Ultra,Xcalibur,2K*2K EOS CCD detector'
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_diffrn_radiation_source         'fine-focus sealed tube Enhanced (Mo)'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0344
_diffrn_reflns_av_unetI/netI     0.0552
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_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         30.039
_diffrn_reflns_theta_min         2.073
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_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.384
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_description       prism
_exptl_crystal_F_000             526
_exptl_crystal_size_max          0.4032
_exptl_crystal_size_mid          0.1477
_exptl_crystal_size_min          0.0295
_refine_diff_density_max         1.005
_refine_diff_density_min         -0.746
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         5876
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0545P)^2^+1.7084P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1148
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5418
_reflns_number_total             5876
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic7b00541_si_004.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        1193.88(6)
_cod_database_code               4345821
_shelxl_version_number           2013-2
_shelx_res_checksum              16123
_shelx_hkl_checksum              78862