Hydrolysis Studies on Bismuth Nitrate: Synthesis and Crystallization of Four Novel Polynuclear Basic Bismuth Nitrates
L. Miersch; T. Rüffer; M. Schlesinger; H. Lang; M. Mehring; Inorganic Chemistry 51 (2012) 9376–9384; doi:10.1021/ic301148p

data_4330184
_publ_section_title
;
 Hydrolysis Studies on Bismuth Nitrate: Synthesis and Crystallization of
 Four Novel Polynuclear Basic Bismuth Nitrates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9376
_journal_page_last               9384
_journal_paper_doi               10.1021/ic301148p
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C106 H321 Bi76 N48 O287 S53'
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_chemical_name_systematic
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 ?
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
;
_computing_data_reduction
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      115
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'oxford gemini s'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_k_min       -23
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_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.98
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 50
_diffrn_standards_interval_time  5
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    28.012
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.31868
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;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.64 (release 22-03-2010 CrysAlis171 .NET)
(compiled Mar 22 2010,13:57:49)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.375
_exptl_crystal_description       block
_exptl_crystal_F_000             10745
_exptl_crystal_size_max          0.3
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_exptl_crystal_size_min          0.1
_refine_diff_density_max         4.658
_refine_diff_density_min         -5.375
_refine_diff_density_rms         0.468
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
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_refine_ls_number_parameters     2641
_refine_ls_number_reflns         42013
_refine_ls_number_restraints     2410
_refine_ls_restrained_S_all      0.971
_refine_ls_R_factor_all          0.0922
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_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0897P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301148p_si_001_4.cif
_cod_data_source_block           compound5
_cod_original_cell_volume        12025.8(4)
_cod_database_code               4330184