Crystal Structures of a Series of Complexes Produced by Reaction of Copper(I) Cyanide with Diamines
Fred B. Stocker; Teodora P. Staeva; Chad M. Rienstra; Doyle Britton; Inorganic Chemistry 38 (1999) 984–991; doi:10.1021/ic970226b

data_4321804
_publ_contact_author
;
Fred Stocker
Department of Chemistry
Macalester College
St. Paul, MN 55105
;
_publ_contact_author_email       stocker@macalester.edu
_publ_contact_author_fax         612-696-6432
_publ_contact_author_phone       612-696-6351
_publ_section_title
;
 Crystal Structures of a Series of Complexes Produced by Reaction of
 Copper(I) Cyanide with Diamines
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              984
_journal_page_last               991
_journal_paper_doi               10.1021/ic970226b
_journal_volume                  38
_journal_year                    1999
_chemical_compound_source        synthesis
_chemical_formula_sum            'C6 H12 Cu2 N4'
_chemical_formula_weight         267.28
_chemical_name_systematic
' copper(I) cyanide/1,4-butanediamine complex'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
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_cell_angle_gamma                90
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_cell_length_b                   5.550(1)
_cell_length_c                   10.456(2)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    297
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      10.2
_cell_volume                     481.6(2)
_computing_cell_refinement       CAD-4
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_computing_molecular_graphics    TEXSAN
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_computing_structure_solution    TEXSAN
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_diffrn_measurement_device       'CAD-4 diffractometer'
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_diffrn_standards_decay_%        >1%
_diffrn_standards_interval_time  '80 min'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    43.84
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.82
_exptl_absorpt_correction_type   'psi scans'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.843
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             268
_exptl_crystal_size_max          .35
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_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.55
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'at idealized positions with B = 1.2 B of attached atom'
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_refine_ls_weighting_details     'w = 1/(sigma squared F)'
_refine_ls_weighting_scheme      calc
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_reflns_observed_criterion       'I>2 sigma(I)'
_cod_data_source_file            ic970226b_6.cif
_cod_data_source_block           6-butda
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/(sigma squared F)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/(sigma squared
F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        481.6(4)
_cod_database_code               4321804