Self-Assembly of Metallamacrocycles via a Rigid Phosphorus Donor Linker#
Ghosh, Sushobhan; Mukherjee, Partha Sarathi; Organometallics 26 (2007) 3362–; doi:10.1021/om700296k

data_4073370
_publ_section_title
;
 Self-Assembly of Metallamacrocycles via a Rigid Phosphorus Donor Linker#
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3362
_journal_paper_doi               10.1021/om700296k
_journal_volume                  26
_journal_year                    2007
_chemical_absolute_configuration unk
_chemical_formula_sum            'C56 H60 N8 O12 P4 Pt2'
_chemical_formula_weight         1548.14
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           106
_symmetry_space_group_name_Hall  'P 4c -2ab'
_symmetry_space_group_name_H-M   'P 42 b c'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-03-17T19:26:32-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   32.291(3)
_cell_length_b                   32.291(3)
_cell_length_c                   12.6462(15)
_cell_measurement_temperature    150(2)
_cell_volume                     13186(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2724
_diffrn_reflns_av_unetI/netI     0.1829
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            94756
_diffrn_reflns_theta_full        25.33
_diffrn_reflns_theta_max         25.33
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    3.423
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.285
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5016
_refine_diff_density_max         3.273
_refine_diff_density_min         -3.142
_refine_diff_density_rms         0.279
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -10(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.244
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     771
_refine_ls_number_reflns         11982
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.244
_refine_ls_R_factor_all          0.2244
_refine_ls_R_factor_gt           0.1009
_refine_ls_shift/su_max          4.757
_refine_ls_shift/su_mean         0.222
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1081P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2011
_refine_ls_wR_factor_ref         0.2723
_reflns_number_gt                5936
_reflns_number_total             11982
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700296k-file001.cif
_cod_data_source_block           2d
_cod_original_cell_volume        13187(2)
_cod_database_code               4073370