Side chain Co(I) polymers featuring acrylate functionalized neutral 18 electron CpCo(C4R4) (R = Ph, Me) units
Preeti Chadha; Paul J. Ragogna; Chem.Commun. 47 (2011) 5301–; doi:10.1039/c1cc11076d

data_7106339
_publ_section_title
;
 Side chain Co(I) polymers featuring acrylate functionalized neutral 18
 electron CpCo(C4R4) (R = Ph, Me) units
;
_journal_name_full               Chem.Commun.
_journal_page_first              5301
_journal_paper_doi               10.1039/c1cc11076d
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C20 H25 Co O3'
_chemical_formula_sum            'C20 H25 Co O3'
_chemical_formula_weight         372.33
_chemical_name_systematic
;
?
;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                82.551(2)
_cell_angle_beta                 68.949(2)
_cell_angle_gamma                75.849(3)
_cell_formula_units_Z            2
_cell_length_a                   8.3122(4)
_cell_length_b                   10.9110(5)
_cell_length_c                   11.2874(5)
_cell_measurement_reflns_used    38362
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      52.78
_cell_measurement_theta_min      5.335
_cell_volume                     925.40(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0737
_diffrn_reflns_av_sigmaI/netI    0.0720
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            38362
_diffrn_reflns_theta_full        31.31
_diffrn_reflns_theta_max         31.31
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    0.941
_exptl_absorpt_correction_T_max  0.9723
_exptl_absorpt_correction_T_min  0.9118
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             392
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.408
_refine_diff_density_min         -0.395
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     225
_refine_ls_number_reflns         5983
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.6354P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0941
_reflns_number_gt                4262
_reflns_number_total             5983
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc11076d.txt
_cod_data_source_block           b11003_0m
_cod_original_cell_volume        925.40(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7106339