Steric C-N bond activation on the dimeric macrocycle [{P(μ-NR)}2(μ-NR)]2.
Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Star, Daniel G.; Díaz, Jesús; Li, Xin Y.; Ganguly, Rakesh; García, Felipe; Chemical communications (Cambridge, England) 51 (2015) 16468–16471; doi:10.1039/c5cc06034f

data_7118044
_publ_section_title
;
 Steric C-N bond activation on the dimeric macrocycle
 [{P(\m-NR)}2(\m-NR)]2.
;
_journal_issue                   92
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              16468
_journal_page_last               16471
_journal_paper_doi               10.1039/c5cc06034f
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C15 H36 N6 P4 Se4'
_chemical_formula_weight         740.22
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2015-06-19 deposited with the CCDC.
2015-08-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.007(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.8909(11)
_cell_length_b                   15.9194(13)
_cell_length_c                   13.2049(11)
_cell_measurement_reflns_used    2408
_cell_measurement_temperature    103.(2)
_cell_measurement_theta_max      18.8408
_cell_measurement_theta_min      2.4830
_cell_volume                     2920.1(4)
_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-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1620
_diffrn_reflns_av_unetI/netI     0.1281
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            37170
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
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_diffrn_reflns_theta_max         25.709
_diffrn_reflns_theta_min         1.466
_exptl_absorpt_coefficient_mu    5.259
_exptl_absorpt_correction_T_max  0.74
_exptl_absorpt_correction_T_min  0.63
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         1.397
_refine_diff_density_min         -1.258
_refine_diff_density_rms         0.238
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         5560
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_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.1665
_refine_ls_R_factor_gt           0.0769
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1088P)^2^+32.6585P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2078
_refine_ls_wR_factor_ref         0.2539
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2855
_reflns_number_total             5560
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5cc06034f2.cif
_cod_data_source_block           p211c
_cod_database_code               7118044
_shelx_estimated_absorpt_t_min   0.571
_shelx_estimated_absorpt_t_max   0.743
_shelxl_version_number           2014/6
_shelx_res_checksum              7271