The embedding of fluorescent <i>N</i>-methyl-9-acridone into a topological new layered aluminophosphate SYSU-2 by one-pot synthesis.
Liang, Weichi; Wen, Jiali; Zhao, Yukai; Zhang, Meng; Jiang, Jiuxing; Dalton transactions (Cambridge, England : 2003) 49 (2020) 17033–17038; doi:10.1039/d0dt03006f

data_7705834
_publ_section_title
;
 The embedding of fluorescent <i>N</i>-methyl-9-acridone into a
 topological new layered aluminophosphate SYSU-2 by one-pot synthesis.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17033
_journal_page_last               17038
_journal_paper_doi               10.1039/d0dt03006f
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'Al4 F4 H12 O20 P4, 2(C14 H11 N O)'
_chemical_formula_sum            'C28 H34 Al4 F4 N2 O22 P4'
_chemical_formula_weight         1058.37
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2020-01-30
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2020-01-30 deposited with the CCDC.	2020-11-16 downloaded from the CCDC.
;
_cell_angle_alpha                91.559(2)
_cell_angle_beta                 93.484(2)
_cell_angle_gamma                110.598(2)
_cell_formula_units_Z            1
_cell_length_a                   6.9778(3)
_cell_length_b                   9.7904(4)
_cell_length_c                   13.7290(5)
_cell_measurement_reflns_used    7291
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      56.974
_cell_measurement_theta_min      2.809
_cell_volume                     875.14(6)
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0579
_diffrn_reflns_av_unetI/netI     0.0645
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15059
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.402
_diffrn_reflns_theta_min         1.488
_exptl_absorpt_coefficient_mu    0.441
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_correction_T_min  0.6027
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1313 before and 0.0690 after correction. The Ratio of minimum to maximum transmission is 0.8023. The \l/2 correction factor is Not present.'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.008
_exptl_crystal_description       plate
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.437
_refine_diff_density_min         -0.885
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         3537
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0728P)^2^+0.2554P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1204
_refine_ls_wR_factor_ref         0.1303
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2683
_reflns_number_total             3537
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03006f2.cif
_cod_data_source_block           SYSU-2
_cod_database_code               7705834
_shelx_shelxl_version_number     2014/7
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Rigid bond restraints
 O00H, C00K
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.005
3.a Rotating group:
 O00B(H00D,H00E), O00D(H00F,H00G)
3.b Aromatic/amide H refined with riding coordinates:
 C00J(H00J), C00O(H00O), C00Q(H00Q), C00R(H00R), C00S(H00S), C00U(H00U),
 C00V(H00V), C00W(H00W)
3.c Idealised Me refined as rotating group:
 C00T(H00A,H00B,H00C)
3.d Idealised tetrahedral OH refined as rotating group:
 O009(H009), O00F(H00H)
;
_shelx_res_checksum              49202
_olex2_submission_special_instructions 'No special instructions were received'