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_4345820
_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            'C27.73 H20 B Cl0.27 Hg N3.73 P'
_chemical_formula_weight         657.39
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_cell_length_b                   9.7331(3)
_cell_length_c                   27.4616(8)
_cell_measurement_reflns_used    4346
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.2250
_cell_measurement_theta_min      2.9610
_cell_volume                     2578.41(12)
_computing_cell_refinement       'CrysAlisPro171.36.24, Oxford Diffraction'
_computing_data_collection       'CrysAlisPro171.36.24, Oxford Diffraction'
_computing_data_reduction        'CrysAlisPro171.36.24, Oxford Diffraction'
_computing_molecular_graphics    'Diamond, v.2.1e (Brandenburg, 2001)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.858
_diffrn_measurement_device_type
'Gemini E Ultra,Xcalibur,2K*2K EOS CCD detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube Enhanced (Mo)'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.858
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_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            14780
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.858
_diffrn_reflns_theta_full        26.400
_diffrn_reflns_theta_max         29.405
_diffrn_reflns_theta_min         2.111
_exptl_absorpt_coefficient_mu    6.082
_exptl_absorpt_correction_T_max  0.687
_exptl_absorpt_correction_T_min  0.225
_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    1.693
_exptl_crystal_description       prism
_exptl_crystal_F_000             1268
_exptl_crystal_size_max          0.4194
_exptl_crystal_size_mid          0.1714
_exptl_crystal_size_min          0.0644
_refine_diff_density_max         0.488
_refine_diff_density_min         -0.874
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         6109
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0314
_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^)+(0.0204P)^2^+0.8691P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0541
_refine_ls_wR_factor_ref         0.0590
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4774
_reflns_number_total             6109
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic7b00541_si_005.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        2578.41(13)
_cod_database_code               4345820
_shelxl_version_number           2013-2
_shelx_res_checksum              27929
_shelx_hkl_checksum              64162