Polymerization of phenylacetylenes by binuclear rhodium catalysts with different para-binucleating phenoxyiminato linkages
Wu, Xiaolu; Zhang, Pengfei; Yang, Zhi; Zhang, Shaowen; Liu, Hao; Chi, Weijie; Li, Xiaofang; Dong, Yuping; Qiu, Nannan; Yan, Li; Polymer Chemistry 10 (2019) 4163–; doi:10.1039/C9PY00594C

data_1551935
_publ_section_title
;
 Polymerization of phenylacetylenes by binuclear rhodium catalysts with
 different para-binucleating phenoxyiminato linkages
;
_journal_issue                   30
_journal_name_full               'Polymer Chemistry'
_journal_page_first              4163
_journal_paper_doi               10.1039/C9PY00594C
_journal_volume                  10
_journal_year                    2019
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C23 H26 N O Rh'
_chemical_formula_sum            'C23 H26 N O Rh'
_chemical_formula_weight         435.36
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2016-05-09
_audit_creation_method
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_audit_update_record
;
2017-01-15 deposited with the CCDC.    2019-06-21 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 102.9424(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.96235(17)
_cell_length_b                   10.15759(11)
_cell_length_c                   14.61931(18)
_cell_measurement_reflns_used    8697
_cell_measurement_temperature    105.4
_cell_measurement_theta_max      29.0562
_cell_measurement_theta_min      3.1081
_cell_volume                     1875.97(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
'A short history of SHELX (Sheldrick, 2007)/Bruker'
_diffrn_ambient_temperature      105.4
_diffrn_detector_area_resol_mean 16.0971
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
  1 omega  -46.00  -19.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.8148   77.0000  150.0000 27

  2 omega   29.00   54.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.8148   77.0000 -180.0000 25

  3 omega  -45.00   44.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.8148   77.0000   90.0000 89

  4 omega   -7.00   73.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       20.9711   77.0000   60.0000 80

  5 omega    6.00   88.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       20.9711   77.0000  150.0000 82

  6 omega   51.00   77.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       20.9711   77.0000  -30.0000 26

  7 omega   -9.00   75.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       20.9711   77.0000  -60.0000 84
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0422688000
_diffrn_orient_matrix_UB_12      -0.0257504000
_diffrn_orient_matrix_UB_13      0.0348651000
_diffrn_orient_matrix_UB_21      -0.0219511000
_diffrn_orient_matrix_UB_22      -0.0640334000
_diffrn_orient_matrix_UB_23      -0.0082778000
_diffrn_orient_matrix_UB_31      0.0297352000
_diffrn_orient_matrix_UB_32      -0.0106497000
_diffrn_orient_matrix_UB_33      -0.0345602000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14107
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         3.11
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.922
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98082
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       diamond
_exptl_crystal_F_000             896
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.372
_refine_diff_density_min         -0.508
_refine_diff_density_rms         0.062
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     471
_refine_ls_number_reflns         7353
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0273
_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^)+(0.0184P)^2^+0.0300P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0543
_refine_ls_wR_factor_ref         0.0565
_reflns_number_gt                6802
_reflns_number_total             7353
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9py00594c2.cif
_cod_data_source_block           exp_4123
_cod_depositor_comments
'Adding full bibliography for 1551934--1551938.cif.'
_cod_database_code               1551935
_reflns_odcompleteness_completeness 99.73
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32