Polymorphs and Blue Luminescence of Oligomeric Zinc (II) Complex; Zn3ppo6 [ppo ( 2((2(hydroxyphenyl)(5(phenyloxazole]
Taeshick Kim; Chemistry of Materials  (2003) –; doi:

data_4000342
_publ_section_title
;
Polymorphs and Blue Luminescence of Oligomeric Zinc (II)
Complex; Zn3ppo6 [ppo ( 2((2(hydroxyphenyl)(5(phenyloxazole]
;
_journal_name_full               'Chemistry of Materials'
_journal_year                    2003
_chemical_formula_moiety         'C30 H20 N2 O4 Zn '
_chemical_formula_sum            'C30 H20 N2 O4 Zn'
_chemical_formula_weight         537.88
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.042(8)
_cell_angle_beta                 90.111(6)
_cell_angle_gamma                90.019(4)
_cell_formula_units_Z            2
_cell_length_a                   5.0471(7)
_cell_length_b                   13.337(1)
_cell_length_c                   18.239(2)
_cell_measurement_reflns_used    3730
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.2
_cell_volume                     1180.0(3)
_diffrn_measured_fraction_theta_full 0.8119
_diffrn_measured_fraction_theta_max 0.8119
_diffrn_measurement_device_type  ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.106
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            5244
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_exptl_absorpt_coefficient_mu    1.083
_exptl_absorpt_correction_T_max  0.958
_exptl_absorpt_correction_T_min  0.
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            pale
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             552.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_crystal_thermal_history   'heating for about 20 min. at 340 (C'
_refine_diff_density_max         0.77
_refine_diff_density_min         -0.57
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     354
_refine_ls_number_reflns         1774
_refine_ls_R_factor_gt           0.0900
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s^2^(Fo) + 0.5000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                1774
_reflns_number_total             3488
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_original_formula_sum        'C30 H20 N2 O4 Zn '
_cod_database_code               4000342