Anion-tunable configuration isomerism and magnetic coupling in a tetranuclear discrete, one-dimensional (1D) chiral chain and 1D-decker copper(II) complexes of a carbohydrazine derivative.
Huang, Wei; Jin, Yuchao; Wu, Dayu; Wu, Genhua; Inorganic chemistry 53 (2014) 73–79; doi:10.1021/ic4014027

data_4337531
_publ_section_title
;
 Anion-tunable configuration isomerism and magnetic coupling in a
 tetranuclear discrete, one-dimensional (1D) chiral chain and 1D-decker
 copper(II) complexes of a carbohydrazine derivative.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              73
_journal_page_last               79
_journal_paper_doi               10.1021/ic4014027
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C30 H36 Cu4 N10 O16'
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_chemical_name_systematic
; 
 ? 
;
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_cell_measurement_theta_min      2.9622
_cell_volume                     975.15(6)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
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_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_exptl_absorpt_correction_T_min  0.84799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             530
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_refine_ls_extinction_method     none
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_refine_ls_number_parameters     311
_refine_ls_number_reflns         3439
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0434
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0542P)^2^+0.6915P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0960
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_reflns_number_gt                2949
_reflns_number_total             3439
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4014027_si_005.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        975.15(5)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4337531