Overcoming a Tight Coil To Give a Random “Co” Polymer Derived from a Mixed Sandwich Cobaltocene
Hadadpour, Mahboubeh; Liu, Yuqing; Chadha, Preeti; Ragogna, Paul J.; Macromolecules 47 (2014) 6207–; doi:10.1021/ma501323q

data_1517661
_publ_section_title
;
 Overcoming a Tight Coil To Give a Random &#x201C;Co&#x201D; Polymer
 Derived from a Mixed Sandwich Cobaltocene
;
_journal_issue                   18
_journal_name_full               Macromolecules
_journal_page_first              6207
_journal_paper_doi               10.1021/ma501323q
_journal_volume                  47
_journal_year                    2014
_chemical_formula_moiety         'C40 H33 Co O3'
_chemical_formula_sum            'C40 H33 Co O3'
_chemical_formula_weight         620.59
_chemical_name_systematic
; 
 ? 
;
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 109.64(3)
_cell_angle_gamma                93.95(3)
_cell_formula_units_Z            4
_cell_length_a                   12.470(3)
_cell_length_b                   14.711(3)
_cell_length_c                   17.798(4)
_cell_measurement_reflns_used    12502
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.10
_cell_measurement_theta_min      2.04
_cell_volume                     3065.7(13)
_computing_cell_refinement       DENZO
_computing_data_collection       Supergui
_computing_data_reduction        DENZO
_computing_molecular_graphics    XP
_computing_publication_material  cif_to_tables
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Nonius Kappa CCD'
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_reflns_limit_l_max       22
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_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         2.18
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.599
_exptl_absorpt_correction_T_max  0.9316
_exptl_absorpt_correction_T_min  0.8599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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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^)+(0.0404P)^2^+0.4368P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1035
_refine_ls_wR_factor_ref         0.1221
_reflns_number_gt                8571
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ma501323q_si_002.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/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 

 Adding full bibliography for 1517660--1517661.cif.
;
_cod_original_cell_volume        3065.7(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1517661