Cubes, Squares, and Books: A Simple Transition Metal/Bridging Ligand Combination Can Lead to a Surprising Range of Structural Types with the Same Metal/Ligand Proportions
Adel M. Najar; Ian S. Tidmarsh; Harry Adams; Michael D. Ward; Inorganic Chemistry 48 (2009) 11871–11881; doi:10.1021/ic901892y

data_4303912
_publ_contact_author
; 
        Prof. Mike Ward
        Department of Chemistry
        University of Sheffield
        SHEFFIELD
        S3 7HF
;
_publ_contact_author_email       m.d.ward@sheffield.ac.uk
_publ_contact_author_fax         '0114 2229346'
_publ_section_title
;
Cubes, Squares, and Books: A Simple Transition Metal/Bridging Ligand
Combination Can Lead to a Surprising Range of Structural Types with the
Same Metal/Ligand Proportions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11871
_journal_page_last               11881
_journal_paper_doi               10.1021/ic901892y
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C306 H296 B16 Co8 F64 N90 O37'
_chemical_formula_weight         7686.73
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.727(6)
_cell_angle_beta                 109.603(7)
_cell_angle_gamma                101.195(6)
_cell_formula_units_Z            1
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_cell_length_b                   23.585(3)
_cell_length_c                   25.043(3)
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
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_exptl_absorpt_coefficient_mu    0.391
_exptl_absorpt_correction_T_max  0.9258
_exptl_absorpt_correction_T_min  0.8916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.185
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3930
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3283
_refine_ls_wR_factor_ref         0.3556
_reflns_number_gt                29027
_reflns_number_total             48594
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901892y_si_001_1.cif
_cod_data_source_block           imw1250p-1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed
to 'multi-scan' 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 
;
_cod_database_code               4303912