Anion induced diversification from heptanuclear to tetranuclear clusters: Syntheses, structures and magnetic properties.
Zhang, Shu-Hua; Ma, Lu-Fang; Zou, Hua-Hong; Wang, Yin Guang; Liang, Hong; Zeng, Ming Hua; Dalton transactions (Cambridge, England : 2003) 40 (2011) 11402–11409; doi:10.1039/c1dt10517e

data_7016999
_publ_section_title
;
 Anion induced diversification from heptanuclear to tetranuclear clusters:
 Syntheses, structures and magnetic properties.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11402
_journal_page_last               11409
_journal_paper_doi               10.1039/c1dt10517e
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C96 H110 Cl2 Co7 N24 O33'
_chemical_formula_weight         2611.49
_chemical_name_systematic
;
?
;
_space_group_IT_number           148
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_symmetry_space_group_name_Hall  '-R 3'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   20.2022(10)
_cell_length_b                   20.2022(10)
_cell_length_c                   27.387(3)
_cell_measurement_reflns_used    2509
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.89
_cell_volume                     9679.9(13)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART(Bruker 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'CCD area detector'
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_av_sigmaI/netI    0.0306
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_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
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_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            30121
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    0.996
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1138P)^2^+49.3030P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2509
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10517e.txt
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Rhombohedral' changed to
'rhombohedral' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        9679.8(12)
_cod_original_sg_symbol_H-M      'R-3 '
_cod_database_code               7016999