A rare ether-bridged cobalt complex which gives rise to an unusual ???serpentine??? metal???ligand binding motif
Mund, Garry; Gabert, Andrea J.; Batchelor, Raymond J.; Britten, James F.; Leznoff, Daniel B.; Chemical Communications  (2002) 2990–; doi:10.1039/b208221g

data_7114183
_publ_section_title
;
 A rare ether-bridged cobalt complex which gives rise to an unusual
 ???serpentine??? metal???ligand binding motif
;
_journal_issue                   24
_journal_name_full               'Chemical Communications'
_journal_page_first              2990
_journal_paper_doi               10.1039/b208221g
_journal_year                    2002
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C56 H84 Co2 N4 O2 '
_chemical_formula_sum            'C56 H84 Co2 N4 O2'
_chemical_formula_weight         963.18
_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
_cell_angle_alpha                88.90(1)
_cell_angle_beta                 84.64(2)
_cell_angle_gamma                69.22(2)
_cell_formula_units_Z            2
_cell_length_a                   10.899(2)
_cell_length_b                   15.104(3)
_cell_length_c                   18.012(2)
_cell_measurement_reflns_used    28
_cell_measurement_temperature    293
_cell_measurement_theta_max      17.50
_cell_measurement_theta_min      12.00
_cell_volume                     2759.8(9)
_computing_cell_refinement
;
NRC DIFRAC
;
_computing_data_collection
;
NRC DIFRAC
;
_computing_data_reduction
;
NRCVAX DATRD2
;
_computing_molecular_graphics
;
ORTEP3 (Farrugia)
;
_computing_publication_material
;
CRYSTALS (Watkin et al 2001)
;
_computing_structure_refinement
;
CRYSTALS (Watkin et al 2001)
;
_computing_structure_solution
;
SIR92 (Altomare et al, 1994)
;
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
Nonius CAD-4
;
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10093
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        3.
_diffrn_standards_interval_count 300
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.639
_exptl_absorpt_correction_T_max  0.8442
_exptl_absorpt_correction_T_min  0.6370
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'dark green'
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_exptl_crystal_F_000             1037.305
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.5(2)
_refine_diff_density_min         -0.4(2)
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_obs   2.2
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     581
_refine_ls_number_reflns         4528
_refine_ls_R_factor_obs          0.050
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w = 1/(.140E-01*F +0.00 *\s^2^(F ) + 0.00 )
;
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.052
_reflns_number_observed          4528
_reflns_number_total             9759
_reflns_observed_criterion       'Inet > 2.5\s(Inet)'
_cod_data_source_file            b208221g.txt
_cod_data_source_block           nonco
_cod_original_cell_volume        2759.8
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        ' C56 H84 Co2 N4 O2 '
_cod_database_code               7114183