# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_uransucc1_def
_database_code_depnum_ccdc_archive 'CCDC 1941819'
loop_
_audit_author_name
_audit_author_address
'Richard DVries'
;Universidad Santiago de Cali
Colombia
;
_audit_update_record             
;
2019-07-19 deposited with the CCDC.	2020-07-02 downloaded from the CCDC.
;
_audit_creation_date             2019-07-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H13 N2 O9 U2, H2 O'
_chemical_formula_sum            'C14 H15 N2 O10 U2'
_chemical_formula_weight         847.34
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C14 N2 H10 O8 U2  '
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.7476(7)
_cell_length_b                   10.9968(9)
_cell_length_c                   11.7793(10)
_cell_angle_alpha                87.274(7)
_cell_angle_beta                 75.744(7)
_cell_angle_gamma                84.385(7)
_cell_volume                     967.72(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8566
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.4440
_cell_measurement_theta_min      2.8020
_shelx_estimated_absorpt_T_max   0.730
_shelx_estimated_absorpt_T_min   0.347
_exptl_absorpt_coefficient_mu    16.768
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.35088
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.35c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.908
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             754
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20419
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_min         2.547
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -69.00 118.00   1.00   19.06    --   27.63  54.00 150.00  187
  2  ω    -69.00 118.00   1.00   19.06    --   27.63  54.00 150.00  187
  3  ω    -69.00 118.00   1.00   19.06    --   27.63  54.00  30.00  187
  4  ω    -69.00 118.00   1.00   19.06    --   27.63  54.00 -90.00  187
  5  ω    -69.00 115.00   1.00   19.06    --   27.63  54.00 -30.00  184
;
_diffrn_measurement_device       'two-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Mini (ROW)'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0532957000
_diffrn_orient_matrix_UB_12      -0.0566072000
_diffrn_orient_matrix_UB_13      -0.0040397000
_diffrn_orient_matrix_UB_21      -0.0582089000
_diffrn_orient_matrix_UB_22      -0.0215572000
_diffrn_orient_matrix_UB_23      0.0517642000
_diffrn_orient_matrix_UB_31      -0.0525851000
_diffrn_orient_matrix_UB_32      -0.0231068000
_diffrn_orient_matrix_UB_33      -0.0341538000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4557
_reflns_number_total             5629
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.35c (Rigaku OD, 2017)'
_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 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.509
_refine_diff_density_min         -1.306
_refine_diff_density_rms         0.166
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         5629
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0229
_refine_ls_restrained_S_all      1.077
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0192P)²+2.8405P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0490
_refine_ls_wR_factor_ref         0.0555
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 O8-H8
 0.85 with sigma of 0.02
 U2-O2 \\sim U2-O2A
 with sigma of 0.04
 C1-O2 \\sim C1-O2A
 with sigma of 0.04
 C1-C2 \\sim C1-C2A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(O2) = Uanis(O2A)
Uanis(C2) = Uanis(C2A)
4. Others
 Fixed Sof: O2(0.5) C2(0.8) H2A(0.8) H2B(0.8) O2A(0.5) C2A(0.2) H2AA(0.2)
 H2AB(0.2)
5.a Everything fixed:
 O10, H10A, H10B
5.b Rotating group:
 O9(H9A,H9B)
5.c Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C2A(H2AA,H2AB)
5.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C12(H12), C10(H10), C7(H7), C8(H8A), C4(H4), C11(H11)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.72418(2) 0.43648(2) 0.91931(2) 0.02154(5) Uani 1 1 d . . . . .
U2 U 0.37462(2) 0.66553(2) 0.76484(2) 0.02553(5) Uani 1 1 d D . . . .
O7 O 0.4726(4) 0.5433(3) 0.8968(3) 0.0263(7) Uani 1 1 d . . . . .
O9 O 1.0522(5) 0.3563(4) 0.8341(3) 0.0405(9) Uani 1 1 d . . . . .
H9A H 1.116806 0.415666 0.792965 0.061 Uiso 1 1 d GR . . . .
H9B H 1.061466 0.294106 0.784258 0.061 Uiso 1 1 d GR . . . .
O8 O 0.1523(4) 0.6697(3) 0.9356(3) 0.0268(7) Uani 1 1 d D . . . .
O1 O 0.8253(6) 0.4622(5) 0.7072(3) 0.0586(14) Uani 1 1 d . . . . .
N2 N 0.1517(6) 0.8620(4) 0.7446(4) 0.0369(10) Uani 1 1 d . . . . .
N1 N 0.3809(6) 0.7599(4) 0.5525(4) 0.0351(10) Uani 1 1 d . . . . .
C1 C 0.7897(7) 0.5261(5) 0.6247(4) 0.0297(10) Uani 1 1 d D . . . .
O2 O 0.6264(17) 0.5677(12) 0.6355(17) 0.045(3) Uani 0.5 1 d D . P A 1
C3 C 0.4756(8) 0.7060(7) 0.4552(5) 0.0508(17) Uani 1 1 d . . . . .
H3 H 0.526282 0.626504 0.461469 0.061 Uiso 1 1 calc R . . . .
C14 C 0.3028(7) 0.8758(5) 0.5414(5) 0.0388(12) Uani 1 1 d . . . . .
C13 C 0.1863(7) 0.9302(5) 0.6434(5) 0.0351(11) Uani 1 1 d . . . . .
C5 C 0.4372(9) 0.8804(8) 0.3331(5) 0.060(2) Uani 1 1 d . . . . .
H5 H 0.461155 0.920428 0.260381 0.072 Uiso 1 1 calc R . . . .
C9 C 0.1046(9) 1.0504(5) 0.6354(6) 0.0453(14) Uani 1 1 d . . . . .
C6 C 0.3330(8) 0.9408(6) 0.4325(5) 0.0461(15) Uani 1 1 d . . . . .
C12 C 0.0355(9) 0.9112(7) 0.8375(6) 0.0577(19) Uani 1 1 d . . . . .
H12 H 0.009603 0.864968 0.906775 0.069 Uiso 1 1 calc R . . . .
C10 C -0.0129(10) 1.0985(6) 0.7345(7) 0.061(2) Uani 1 1 d . . . . .
H10 H -0.066732 1.177721 0.732422 0.073 Uiso 1 1 calc R . . . .
C2 C 0.9023(9) 0.5114(9) 0.5017(5) 0.0400(19) Uani 0.8 1 d D . P A 1
H2A H 0.865231 0.443559 0.466498 0.048 Uiso 0.8 1 calc R . P A 1
H2B H 0.882905 0.584772 0.455789 0.048 Uiso 0.8 1 calc R . P A 1
C7 C 0.2525(10) 1.0646(7) 0.4283(7) 0.062(2) Uani 1 1 d . . . . .
H7 H 0.274605 1.109202 0.357880 0.074 Uiso 1 1 calc R . . . .
C8 C 0.1468(11) 1.1155(6) 0.5242(7) 0.061(2) Uani 1 1 d . . . . .
H8A H 0.098504 1.195867 0.519358 0.073 Uiso 1 1 calc R . . . .
C4 C 0.5029(9) 0.7619(8) 0.3448(5) 0.062(2) Uani 1 1 d . . . . .
H4 H 0.565698 0.718756 0.279030 0.074 Uiso 1 1 calc R . . . .
C11 C -0.0495(11) 1.0295(7) 0.8352(7) 0.067(2) Uani 1 1 d . . . . .
H11 H -0.130027 1.060514 0.901895 0.080 Uiso 1 1 calc R . . . .
O4 O 0.6439(5) 0.2943(3) 0.8958(3) 0.0378(8) Uani 1 1 d . . . . .
O3 O 0.8225(5) 0.5740(3) 0.9362(3) 0.0377(8) Uani 1 1 d . . . . .
O6 O 0.2619(6) 0.5485(4) 0.7173(3) 0.0407(9) Uani 1 1 d . . . . .
O5 O 0.4872(6) 0.7874(4) 0.8011(4) 0.0475(10) Uani 1 1 d . . . . .
H8 H 0.070(6) 0.631(5) 0.925(5) 0.040(17) Uiso 1 1 d D . . . .
O10 O -0.280480 0.799570 1.052590 0.094 Uani 1 1 d . . . . .
H10A H -0.392670 0.787980 1.062410 0.141 Uiso 1 1 d . . . . .
H10B H -0.223460 0.729770 1.043940 0.141 Uiso 1 1 d . . . . .
O2A O 0.6593(17) 0.6129(12) 0.6417(17) 0.045(3) Uani 0.5 1 d D . P A 2
C2A C 0.949(4) 0.561(3) 0.524(2) 0.0400(19) Uani 0.2 1 d D . P A 2
H2AA H 0.905504 0.607178 0.462243 0.048 Uiso 0.2 1 calc R . P A 2
H2AB H 1.025583 0.610198 0.552244 0.048 Uiso 0.2 1 calc R . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
U1 U1 3.6990(5) 2_667 ?
U1 U2 3.7490(4) 2_667 ?
U1 O7 2.242(3) . ?
U1 O7 2.328(3) 2_667 ?
U1 O9 2.575(3) . ?
U1 O8 2.365(3) 2_667 ?
U1 O1 2.439(4) . ?
U1 O4 1.796(4) . ?
U1 O3 1.799(4) . ?
U2 O7 2.232(3) . ?
U2 O8 2.303(3) . ?
U2 N2 2.670(4) . ?
U2 N1 2.653(4) . ?
U2 O2 2.359(14) . ?
U2 O6 1.806(4) . ?
U2 O5 1.790(4) . ?
U2 O2A 2.358(13) . ?
O9 H9A 0.9089 . ?
O9 H9B 0.9085 . ?
O8 H8 0.84(2) . ?
O1 C1 1.242(6) . ?
N2 C13 1.361(7) . ?
N2 C12 1.332(7) . ?
N1 C3 1.330(7) . ?
N1 C14 1.371(7) . ?
C1 O2 1.280(15) . ?
C1 C2 1.503(7) . ?
C1 O2A 1.304(14) . ?
C1 C2A 1.55(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.389(8) . ?
C14 C13 1.430(8) . ?
C14 C6 1.417(7) . ?
C13 C9 1.418(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.402(9) . ?
C5 C4 1.365(11) . ?
C9 C10 1.383(10) . ?
C9 C8 1.443(9) . ?
C6 C7 1.445(10) . ?
C12 H12 0.9300 . ?
C12 C11 1.401(9) . ?
C10 H10 0.9300 . ?
C10 C11 1.362(10) . ?
C2 C2 1.502(14) 2_766 ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C7 H7 0.9300 . ?
C7 C8 1.333(11) . ?
C8 H8A 0.9300 . ?
C4 H4 0.9300 . ?
C11 H11 0.9300 . ?
O10 H10A 0.8694 . ?
O10 H10B 0.8448 . ?
C2A C2A 1.55(7) 2_766 ?
C2A H2AA 0.9700 . ?
C2A H2AB 0.9700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
U1 U1 U2 68.663(9) 2_667 2_667 ?
O7 U1 U1 35.18(8) 2_667 2_667 ?
O7 U1 U1 36.75(8) . 2_667 ?
O7 U1 U2 105.18(8) . 2_667 ?
O7 U1 U2 33.88(8) 2_667 2_667 ?
O7 U1 O7 71.92(12) . 2_667 ?
O7 U1 O9 149.83(11) . . ?
O7 U1 O9 137.60(11) 2_667 . ?
O7 U1 O8 69.32(11) 2_667 2_667 ?
O7 U1 O8 141.14(11) . 2_667 ?
O7 U1 O1 156.58(12) 2_667 . ?
O7 U1 O1 84.66(12) . . ?
O9 U1 U1 171.38(9) . 2_667 ?
O9 U1 U2 104.94(8) . 2_667 ?
O8 U1 U1 104.46(7) 2_667 2_667 ?
O8 U1 U2 36.01(7) 2_667 2_667 ?
O8 U1 O9 68.93(11) 2_667 . ?
O8 U1 O1 134.03(12) 2_667 . ?
O1 U1 U1 121.41(10) . 2_667 ?
O1 U1 U2 168.11(11) . 2_667 ?
O1 U1 O9 65.69(13) . . ?
O4 U1 U1 92.75(12) . 2_667 ?
O4 U1 U2 84.84(12) . 2_667 ?
O4 U1 O7 92.35(15) . 2_667 ?
O4 U1 O7 92.09(15) . . ?
O4 U1 O9 92.38(15) . . ?
O4 U1 O8 86.72(15) . 2_667 ?
O4 U1 O1 88.19(18) . . ?
O4 U1 O3 175.29(16) . . ?
O3 U1 U1 91.96(12) . 2_667 ?
O3 U1 U2 96.97(13) . 2_667 ?
O3 U1 O7 91.55(15) . 2_667 ?
O3 U1 O7 91.63(15) . . ?
O3 U1 O9 82.96(16) . . ?
O3 U1 O8 92.19(15) . 2_667 ?
O3 U1 O1 89.28(18) . . ?
O7 U2 U1 35.54(8) . 2_667 ?
O7 U2 O8 72.10(11) . . ?
O7 U2 N2 142.50(12) . . ?
O7 U2 N1 155.48(12) . . ?
O7 U2 O2 82.3(5) . . ?
O7 U2 O2A 84.7(5) . . ?
O8 U2 U1 37.14(8) . 2_667 ?
O8 U2 N2 74.21(12) . . ?
O8 U2 N1 131.70(12) . . ?
O8 U2 O2 151.6(4) . . ?
O8 U2 O2A 156.7(5) . . ?
N2 U2 U1 108.05(9) . 2_667 ?
N1 U2 U1 168.81(9) . 2_667 ?
N1 U2 N2 61.49(13) . . ?
O2 U2 U1 117.8(5) . 2_667 ?
O2 U2 N2 133.6(5) . . ?
O2 U2 N1 73.2(5) . . ?
O6 U2 U1 95.68(12) . 2_667 ?
O6 U2 O7 94.02(15) . . ?
O6 U2 O8 87.07(15) . . ?
O6 U2 N2 100.27(17) . . ?
O6 U2 N1 82.99(16) . . ?
O6 U2 O2 82.4(4) . . ?
O6 U2 O2A 96.5(4) . . ?
O5 U2 U1 88.69(14) . 2_667 ?
O5 U2 O7 90.07(16) . . ?
O5 U2 O8 95.90(17) . . ?
O5 U2 N2 77.43(18) . . ?
O5 U2 N1 92.54(17) . . ?
O5 U2 O2 96.4(4) . . ?
O5 U2 O6 175.53(17) . . ?
O5 U2 O2A 82.0(4) . . ?
O2A U2 N2 127.2(4) . . ?
O2A U2 N1 71.6(5) . . ?
U1 O7 U1 108.08(12) . 2_667 ?
U2 O7 U1 139.75(14) . . ?
U2 O7 U1 110.58(13) . 2_667 ?
U1 O9 H9A 111.7 . . ?
U1 O9 H9B 111.9 . . ?
H9A O9 H9B 106.8 . . ?
U1 O8 H8 108(4) 2_667 . ?
U2 O8 U1 106.85(12) . 2_667 ?
U2 O8 H8 108(4) . . ?
C1 O1 U1 140.6(3) . . ?
C13 N2 U2 118.5(3) . . ?
C12 N2 U2 121.8(4) . . ?
C12 N2 C13 117.8(5) . . ?
C3 N1 U2 122.7(4) . . ?
C3 N1 C14 117.5(5) . . ?
C14 N1 U2 119.3(3) . . ?
O1 C1 O2 117.1(10) . . ?
O1 C1 C2 121.2(5) . . ?
O1 C1 O2A 121.7(10) . . ?
O1 C1 C2A 117.5(12) . . ?
O2 C1 C2 116.4(10) . . ?
O2A C1 C2A 111.2(15) . . ?
C1 O2 U2 143.8(13) . . ?
N1 C3 H3 118.2 . . ?
N1 C3 C4 123.6(7) . . ?
C4 C3 H3 118.2 . . ?
N1 C14 C13 118.0(5) . . ?
N1 C14 C6 121.8(6) . . ?
C6 C14 C13 120.1(5) . . ?
N2 C13 C14 118.4(5) . . ?
N2 C13 C9 122.0(5) . . ?
C9 C13 C14 119.6(5) . . ?
C6 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
C4 C5 C6 119.1(6) . . ?
C13 C9 C8 118.4(6) . . ?
C10 C9 C13 118.2(6) . . ?
C10 C9 C8 123.4(6) . . ?
C14 C6 C7 118.8(6) . . ?
C5 C6 C14 118.1(6) . . ?
C5 C6 C7 123.1(6) . . ?
N2 C12 H12 118.6 . . ?
N2 C12 C11 122.9(6) . . ?
C11 C12 H12 118.6 . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.7(6) . . ?
C11 C10 H10 120.1 . . ?
C1 C2 H2A 109.2 . . ?
C1 C2 H2B 109.2 . . ?
C2 C2 C1 111.9(6) 2_766 . ?
C2 C2 H2A 109.2 2_766 . ?
C2 C2 H2B 109.2 2_766 . ?
H2A C2 H2B 107.9 . . ?
C6 C7 H7 119.7 . . ?
C8 C7 C6 120.7(6) . . ?
C8 C7 H7 119.7 . . ?
C9 C8 H8A 118.8 . . ?
C7 C8 C9 122.3(6) . . ?
C7 C8 H8A 118.8 . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.7(6) . . ?
C5 C4 H4 120.2 . . ?
C12 C11 H11 120.3 . . ?
C10 C11 C12 119.4(7) . . ?
C10 C11 H11 120.3 . . ?
H10A O10 H10B 106.4 . . ?
C1 O2A U2 141.6(11) . . ?
C1 C2A H2AA 110.6 . . ?
C1 C2A H2AB 110.6 . . ?
C2A C2A C1 106(3) 2_766 . ?
C2A C2A H2AA 110.6 2_766 . ?
C2A C2A H2AB 110.6 2_766 . ?
H2AA C2A H2AB 108.7 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.013
_oxdiff_exptl_absorpt_empirical_full_min 0.595
_exptl_crystal_recrystallization_method Hydrothermal
_exptl_crystal_preparation       Luminescent
