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_7109084
_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'
_chemical_formula_sum            'C34 H34 N2 Pt'
_chemical_formula_weight         665.72
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-01-04
_audit_creation_method
;
Olex2 1.2
(compiled Dec 5 2012 16:20:19, GUI svn.r4385)
;
_cell_angle_alpha                78.098(4)
_cell_angle_beta                 79.170(5)
_cell_angle_gamma                82.432(5)
_cell_formula_units_Z            2
_cell_length_a                   10.5062(8)
_cell_length_b                   10.8025(5)
_cell_length_c                   14.7466(7)
_cell_measurement_reflns_used    4848
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.4424
_cell_measurement_theta_min      3.1369
_cell_volume                     1600.95(17)
_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
;
XH, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_unetI/netI     0.0729
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6055
_diffrn_reflns_theta_full        25.67
_diffrn_reflns_theta_max         25.67
_diffrn_reflns_theta_min         3.14
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.404
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.32
_platon_squeeze_details
;
;
_refine_diff_density_max         0.938
_refine_diff_density_min         -0.749
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         6055
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0375
_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^)+(0.0319P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0802
_refine_ls_wR_factor_ref         0.0845
_reflns_number_gt                5224
_reflns_number_total             6055
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc41069b.txt
_cod_data_source_block           yubr0914
_cod_database_code               7109084
_olex2_refinement_description
;
1. Fixed Uiso
At 1.2 times of:
H6 of C6, H19 of C19, H5 of C5, H18 of C18, H21 of C21, H26 of C26, H24 of
C24, H4 of C4, H3 of C3, H27 of C27, H2 of C2, H10 of C10, H12 of C12, H13 of
C13, H14 of C14, H15 of C15
At 1.5 times of:
{H36A,H36B,H36C} of C36, {H33A,H33B,H33C} of C33, {H31A,H31B,H31C} of C31,
{H30A,H30B,H30C} of C30, {H34A,H34B,H34C} of C34, {H29A,H29B,H29C} of C29
2.a Aromatic/amide H refined with riding coordinates:
C18(H18), C5(H5), C19(H19), C6(H6), C15(H15), C27(H27), C2(H2), C21(H21),
C26(H26), C24(H24), C4(H4), C3(H3), C14(H14), C13(H13), C12(H12), C10(H10)
2.b Idealised Me refined as rotating group:
C29(H29A,H29B,H29C), C33(H33A,H33B,H33C), C31(H31A,H31B,H31C), C30(H30A,H30B,
H30C), C36(H36A,H36B,H36C), C34(H34A,H34B,H34C)
;