Kinetically "locked" metallomacrocycle.
Nishino, Toshio; Yamada, Yasuyuki; Akine, Shigehisa; Sugimoto, Kunihisa; Tanaka, Kentaro; Dalton transactions (Cambridge, England : 2003) 45 (2016) 3831–3837; doi:10.1039/c5dt04635a

data_7038204
_publ_section_title
;
 Kinetically &quot;locked&quot; metallomacrocycle.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3831
_journal_page_last               3837
_journal_paper_doi               10.1039/c5dt04635a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C238 H268 Cl12 Co4 F24 N16 O20 P4'
_chemical_formula_sum            'C238 H268 Cl12 Co4 F24 N16 O20 P4'
_chemical_formula_weight         4913.67
_chemical_name_common            Co4L4macrocycle
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-01-04 deposited with the CCDC.
2016-01-07 downloaded from the CCDC.
;
_cell_angle_alpha                85.578(6)
_cell_angle_beta                 87.291(6)
_cell_angle_gamma                74.752(5)
_cell_formula_units_Z            1
_cell_length_a                   13.109(5)
_cell_length_b                   21.430(7)
_cell_length_c                   27.645(10)
_cell_measurement_reflns_used    62283
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.507
_cell_measurement_theta_min      2.471
_cell_volume                     7468(5)
_computing_cell_refinement       'Rapid Auto'
_computing_data_collection       'Rapid Auto'
_computing_data_reduction        'Rapid Auto'
_computing_molecular_graphics    Mercury
_computing_publication_material  Mercury
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    Sir92
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_radiation_wavelength     0.689
_diffrn_reflns_av_R_equivalents  0.0899
_diffrn_reflns_av_unetI/netI     0.1667
_diffrn_reflns_laue_measured_fraction_full 0.984
_diffrn_reflns_laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            62283
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        24.419
_diffrn_reflns_theta_max         25.507
_diffrn_reflns_theta_min         2.471
_exptl_absorpt_coefficient_mu    0.414
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.093
_exptl_crystal_description       block
_exptl_crystal_F_000             2556
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.468
_refine_diff_density_min         -0.479
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2551
_refine_ls_number_reflns         29870
_refine_ls_number_restraints     2647
_refine_ls_restrained_S_all      1.202
_refine_ls_R_factor_all          0.2495
_refine_ls_R_factor_gt           0.0990
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2382
_refine_ls_wR_factor_ref         0.2892
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9693
_reflns_number_total             29870
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c5dt04635a2.cif
_cod_data_source_block           Co4L4macrocycle
_cod_depositor_comments          'Adding full bibliography for 7038204.cif.'
_cod_original_cell_volume        7467(4)
_cod_database_code               7038204
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.960
_shelx_estimated_absorpt_t_max   0.960
_shelx_res_checksum              59627