Facile Route to Rare Heterobimetallic Aluminum-Copper and Aluminum-Zinc Selenide Clusters.
Li, Bin; Li, Jiancheng; Liu, Rui; Zhu, Hongping; Roesky, Herbert W.; Inorganic chemistry 56 (2017) 3136–3139; doi:10.1021/acs.inorgchem.7b00012

data_4345521
_publ_section_title
;
 Facile Route to Rare Heterobimetallic Aluminum-Copper and Aluminum-Zinc
 Selenide Clusters.
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3136
_journal_page_last               3139
_journal_paper_doi               10.1021/acs.inorgchem.7b00012
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C118.25 H169.25 Al4 Cu8 N8 Se8'
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_chemical_name_systematic
; 
 ? 
;
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_cell_angle_gamma                89.194(3)
_cell_formula_units_Z            2
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_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.0230
_cell_measurement_theta_min      3.3700
_cell_volume                     6684.9(4)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
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_diffrn_reflns_theta_max         26.00
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_exptl_absorpt_coefficient_mu    3.496
_exptl_absorpt_correction_T_max  0.7212
_exptl_absorpt_correction_T_min  0.4202
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   empirical
_exptl_crystal_colour            colorless
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_exptl_crystal_density_meas      ?
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'refined in a riding mode to the carrier atom'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0403P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1118
_reflns_number_gt                18556
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7b00012_si_002.cif
_cod_data_source_block           Compound-2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 4345521.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4345521