Synthesis and characterization of a luminescence metallosupramolecular hyperbranched polymer
Bingran Yu; Shuwen Guo; Lipeng He; Weifeng Bu; Chem.Commun. 49 (2013) 3333–; doi:10.1039/c3cc41069b

data_7109083
_publ_section_title
;
 Synthesis and characterization of a luminescence metallosupramolecular
 hyperbranched polymer
;
_journal_name_full               Chem.Commun.
_journal_page_first              3333
_journal_paper_doi               10.1039/c3cc41069b
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C34 H34 N2 Pt, C H2 Cl2'
_chemical_formula_sum            'C35 H36 Cl2 N2 Pt'
_chemical_formula_weight         750.65
_chemical_name_systematic
;
?
;
_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
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-09-03
_audit_creation_method
;
Olex2 1.2
(compiled 2012.05.09 svn.r2324, GUI svn.r4230)
;
_cell_angle_alpha                109.735(4)
_cell_angle_beta                 90.674(3)
_cell_angle_gamma                97.278(3)
_cell_formula_units_Z            2
_cell_length_a                   10.3930(4)
_cell_length_b                   10.4002(4)
_cell_length_c                   15.2797(7)
_cell_measurement_reflns_used    7404
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      28.5961
_cell_measurement_theta_min      3.0161
_cell_volume                     1539.41(12)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
;
_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, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'J. Appl. Cryst. (2007) 40, 786-790'
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 16.0733
_diffrn_measured_fraction_theta_full 0.9978
_diffrn_measured_fraction_theta_max 0.9808
_diffrn_measurement_details
;
1 omega -68.00 -36.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- -19.3492 -57.0000 -180.0000 32
2 omega 0.00 51.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- -19.3492 57.0000 -60.0000 51
3 omega 58.00 84.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- 22.7867 178.0000 -180.0000 26
4 omega 26.00 94.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- 22.7867 38.0000 90.0000 68
5 omega -1.00 93.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- 22.7867 57.0000 -180.0000 94
6 omega -20.00 68.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- 22.7867 -99.0000 30.0000 88
7 omega -16.00 68.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ frames
- 22.7867 -99.0000 -90.0000 84
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_UB_11      0.0120012000
_diffrn_orient_matrix_UB_12      0.0201122000
_diffrn_orient_matrix_UB_13      0.0488939000
_diffrn_orient_matrix_UB_21      -0.0648826000
_diffrn_orient_matrix_UB_22      -0.0269960000
_diffrn_orient_matrix_UB_23      0.0042447000
_diffrn_orient_matrix_UB_31      0.0199042000
_diffrn_orient_matrix_UB_32      -0.0649597000
_diffrn_orient_matrix_UB_33      -0.0056519000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_unetI/netI     0.0503
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -7
_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            10955
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         3.02
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    4.758
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    1.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.828
_refine_diff_density_min         -1.441
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         5842
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0277
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0325P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0643
_refine_ls_wR_factor_ref         0.0666
_reflns_number_gt                5501
_reflns_number_total             5842
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc41069b.txt
_cod_data_source_block           yubr0830
_cod_original_cell_volume        1539.41(11)
_cod_database_code               7109083
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32