Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional Mn<sup>2+</sup>-Based Metal Halides: A Case Study of (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub> <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.
Zhou, Guojun; Liu, Zhiyang; Huang, Jinglong; Molokeev, Maxim S.; Xiao, Zewen; Ma, Chonggeng; Xia, Zhiguo; The journal of physical chemistry letters  (2020) 5956–5962; doi:10.1021/acs.jpclett.0c01933

data_8000445
_publ_section_title
;
 Unraveling the Near-Unity Narrow-Band Green Emission in Zero-Dimensional
 Mn<sup>2+</sup>-Based Metal Halides: A Case Study of
 (C<sub>10</sub>H<sub>16</sub>N)<sub>2</sub>Zn<sub>1-<i>x</i></sub>Mn<sub>
 <i>x</i> </sub>Br<sub>4</sub> Solid Solutions.
;
_journal_name_full               'The journal of physical chemistry letters'
_journal_page_first              5956
_journal_page_last               5962
_journal_paper_doi               10.1021/acs.jpclett.0c01933
_journal_year                    2020
_chemical_formula_moiety
;
2(C10 H16 N), Br4 Mn0.40 Zn0.60
;
_chemical_formula_sum            'C20 H32 Br4 Mn0.4 N2 Zn0.6'
_chemical_formula_weight         681.29
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.949(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.5667(4)
_cell_length_b                   9.1487(3)
_cell_length_c                   15.2381(6)
_cell_measurement_reflns_used    104
_cell_measurement_temperature    300
_cell_measurement_theta_max      59.99725
_cell_measurement_theta_min      2.502929
_cell_volume                     1328.71(9)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
D8 ADVANCE Bruker
;
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type
;
 Cu K\a~1~~2~
;
_exptl_absorpt_coefficient_mu    9.48
_exptl_crystal_density_diffrn    1.70294(12)
_exptl_crystal_description       cylinder
_pd_char_colour
;
colourless
;
_pd_meas_2theta_range_inc        0.011
_pd_meas_2theta_range_max        119.9945
_pd_meas_2theta_range_min        5.005858
_pd_meas_scan_method             step
_pd_proc_ls_pref_orient_corr
;
Anisotropic model of PO. Spherical harmonics 2 ordrer.
 Jarvinen (1993). Application of symmetrized harmonics expansion to correction
of the preferred orientation effect. - J. Appl. Cryst. 26 p525-531.
;
_pd_proc_ls_profile_function     PearsonVII
_pd_proc_ls_prof_R_factor        2.51
_pd_proc_ls_prof_wR_expected     2.45
_pd_proc_ls_prof_wR_factor       3.15
_pd_proc_number_of_points        10453.5129
_pd_spec_mount_mode              reflection
_refine_ls_goodness_of_fit_all   1.28
_refine_ls_R_I_factor            1.12
_refine_ls_shift/su_max          0.01000
_cod_data_source_file            jz0c01933_si_004.cif
_cod_data_source_block           a
_cod_original_cell_volume        1328.71(10)
_cod_original_sg_symbol_Hall
;
P 2yb
;
_cod_original_sg_symbol_H-M      P21
_cod_original_formula_sum
;
C20 H32 Br4 Mn0.40 N2 Zn0.60
;
_cod_database_code               8000445