Peripheral Methyl Activation in η4-1,2,3,4-Tetramethylcyclobutadienylcobalt Complexes: Template Synthesis and Subsequent Reactivity of Triphosphamacrocycles
Edwards, Peter G.; Kariuki, Benson M.; Newman, Paul D.; Zhang, Wenjian; Organometallics 33 (2014) 5440–; doi:10.1021/om500734b

data_4084334
_publ_section_title
;
 Peripheral Methyl Activation in
 \h4-1,2,3,4-Tetramethylcyclobutadienylcobalt Complexes: Template
 Synthesis and Subsequent Reactivity of Triphosphamacrocycles
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              5440
_journal_paper_doi               10.1021/om500734b
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C40 H43 Co P3, P F6'
_chemical_formula_sum            'C40 H43 Co F6 P4'
_chemical_formula_weight         820.55
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
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_cell_angle_alpha                90.00
_cell_angle_beta                 96.3780(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.3220(2)
_cell_length_b                   19.5100(4)
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_cell_measurement_temperature    150(2)
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_cell_volume                     3748.76(12)
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_computing_data_collection       'cOLLECT,Nonius BV, 1997-2001'
_computing_data_reduction        DENZO/SCALEPACK
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SHELXs-97
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_diffrn_measurement_method       'CCD scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_max         27.48
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_exptl_absorpt_coefficient_mu    0.688
_exptl_absorpt_correction_T_max  0.943
_exptl_absorpt_correction_T_min  0.763
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_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.35
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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^)+(0.0521P)^2^+1.3497P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
_refine_ls_wR_factor_ref         0.1210
_reflns_number_gt                6005
_reflns_number_total             8574
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om500734b_si_002.cif
_cod_data_source_block           cmpd3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 4084333--4084338.cif.
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4084334
_publcif_datablock.id            {50475f52-95ee-4172-bd78-b9daf95fe4f4}
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_publcif_info_exptl_table_use_headnotes n