Prenucleation and coalescence of cobalt nanoclusters mediated by multivalent calixarene complexes.
Liu, Jie; Wei, Alexander; Chemical communications (Cambridge, England) 34 (2009) 4254–4256; doi:10.1039/b903954f

data_7104607
_publ_section_title
;
 Prenucleation and coalescence of cobalt nanoclusters mediated by
 multivalent calixarene complexes.
;
_journal_issue                   28
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              4254
_journal_page_last               4256
_journal_paper_doi               10.1039/b903954f
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'C104 H48 Co16 O56,C6 H6'
_chemical_formula_sum            'C110 H54 Co16 O56'
_chemical_formula_weight         3214.55
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source
'International Tables for Crystallography (Vol C)'
_cell_angle_alpha                96.7847(14)
_cell_angle_beta                 103.493(2)
_cell_angle_gamma                90.824(3)
_cell_formula_units_Z            2
_cell_length_a                   14.7094(5)
_cell_length_b                   18.5694(7)
_cell_length_c                   24.4316(9)
_cell_measurement_reflns_used    35596
_cell_measurement_temperature    150.00(2)
_cell_measurement_theta_max      23
_cell_measurement_theta_min      2
_cell_volume                     6437.6(4)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1996)'
_computing_data_collection       'Collect (Nonius, 1998)'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1996)'
_computing_molecular_graphics
;
ORTEP (Johnson, 1976)
PLATON (Spek, 1997)
;
_computing_publication_material  'SHELX97(Sheldrick, 2008) and local programs'
_computing_structure_refinement  'SHELX97 (Sheldrick, 2008)'
_computing_structure_solution
;
Direct methods (SIR2004, Burla et al., 2005)
;
_diffrn_ambient_temperature      150.00(2)
_diffrn_measured_fraction_theta_full 0.9604
_diffrn_measured_fraction_theta_max 0.9604
_diffrn_measurement_device_type  Nonius_KappaCCD
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  'graphite 002'
_diffrn_radiation_type           MO-K\a
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_diffrn_reflns_limit_k_max       20
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_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            35596
_diffrn_reflns_theta_full        23.3
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         2.33
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.086
_exptl_absorpt_correction_T_max  0.6254
_exptl_absorpt_correction_T_min  0.5922
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    violet
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.44
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_platon_squeeze_details
;
;
_refine_diff_density_max         1.07
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_refine_ls_number_reflns         17744
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.100
_refine_ls_R_factor_gt           0.062
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'1/[\s^2^(Fo^2^)+(0.1148P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3 '
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.168
_refine_ls_wR_factor_ref         0.185
_reflns_number_gt                11712
_reflns_number_total             17744
_reflns_threshold_expression     >2.0\s(I)
_cod_data_source_file            b903954f.txt
_cod_data_source_block           LJPC1M
_cod_depositor_comments
;
The following automatic conversions were performed:
'_refine_ls_weighting_scheme' value 'calc ' changed to 'calc' 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_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

data name '_exptl_absorpt__process_details' was replaced with
'_exptl_absorpt_process_details' as specified in the replacement file
'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               7104607