# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_eu
_database_code_depnum_ccdc_archive 'CCDC 1812540'
_audit_update_record             
;
2018-06-26 deposited with the CCDC.
2018-08-13 downloaded from the CCDC.
;
_audit_creation_date             2018-06-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 H10 Eu N O7, H2 O'
_chemical_formula_sum            'C15 H11 Eu N O8'
_chemical_formula_weight         485.21
_chemical_melting_point          ?
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'
Eu Eu -0.1578 3.6682 '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'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.5090(5)
_cell_length_b                   8.4050(3)
_cell_length_c                   19.1014(7)
_cell_angle_alpha                90
_cell_angle_beta                 95.170(4)
_cell_angle_gamma                90
_cell_volume                     1520.44(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4421
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      28.6290
_cell_measurement_theta_min      2.6220
_shelx_estimated_absorpt_T_max   0.731
_shelx_estimated_absorpt_T_min   0.634
_exptl_absorpt_coefficient_mu    4.172
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70416
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.120
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_av_unetI/netI     0.0649
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.895
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            11206
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.895
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         29.460
_diffrn_reflns_theta_min         2.141
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.895
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -76.00  10.00   1.00    2.00    --  -11.59 -57.00  30.00   86
  2  ω    -40.00  62.00   1.00    2.00    --  -11.59  57.00-180.00  102
  3  ω    -14.00  78.00   1.00    2.00    --   11.74  77.00 -60.00   92
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0592506000
_diffrn_orient_matrix_UB_12      -0.0516196000
_diffrn_orient_matrix_UB_13      -0.0028501000
_diffrn_orient_matrix_UB_21      0.0187842000
_diffrn_orient_matrix_UB_22      -0.0267016000
_diffrn_orient_matrix_UB_23      -0.0331185000
_diffrn_orient_matrix_UB_31      0.0418269000
_diffrn_orient_matrix_UB_32      -0.0611880000
_diffrn_orient_matrix_UB_33      0.0168661000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3128
_reflns_number_total             3785
_reflns_odcompleteness_completeness 99.97
_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.
 
 _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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.807
_refine_diff_density_min         -1.091
_refine_diff_density_rms         0.196
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     233
_refine_ls_number_reflns         3785
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0381
_refine_ls_restrained_S_all      1.090
_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/[σ²(Fo²)+(0.0213P)²+1.6798P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0770
_refine_special_details          ?
_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.a Free rotating group:
 O8(H8A,H8B)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C10(H10), C6(H6), C2(H2), C14(H14), C12(H12), C13(H13)
;
_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
Eu1 Eu 0.01557(3) -0.03416(3) 0.27947(2) 0.01011(8) Uani 1 1 d . . . . .
O2 O 0.0474(4) 0.8688(4) 0.62721(15) 0.0172(8) Uani 1 1 d . . . . .
O7 O 0.2471(4) 0.4200(4) 0.21775(16) 0.0163(8) Uani 1 1 d . . . . .
O4 O 0.0927(4) 0.5615(4) 0.32862(15) 0.0145(8) Uani 1 1 d . . . . .
O1 O 0.1399(4) 0.6800(4) 0.69985(15) 0.0158(8) Uani 1 1 d . . . . .
O3 O 0.0054(4) 0.7833(4) 0.37439(15) 0.0156(8) Uani 1 1 d . . . . .
O6 O 0.1309(4) 0.2215(4) 0.26202(15) 0.0149(8) Uani 1 1 d . . . . .
O5 O 0.2440(4) -0.0575(4) 0.33351(17) 0.0206(8) Uani 1 1 d . . . . .
O8 O 0.4201(5) -0.3293(5) 0.3105(2) 0.0393(11) Uani 1 1 d . . . . .
H8A H 0.449003 -0.378931 0.347865 0.059 Uiso 1 1 d G . . . .
H8B H 0.380514 -0.394367 0.280916 0.059 Uiso 1 1 d G . . . .
N1 N 0.3764(5) 0.1765(5) 0.4822(2) 0.0182(10) Uani 1 1 d . . . . .
C4 C 0.2063(6) 0.4615(5) 0.4612(2) 0.0152(11) Uani 1 1 d . . . . .
H4 H 0.225192 0.400663 0.422450 0.018 Uiso 1 1 calc R . . . .
C5 C 0.2521(6) 0.4099(5) 0.5290(2) 0.0142(10) Uani 1 1 d . . . . .
C7 C 0.1082(5) 0.7377(5) 0.6387(2) 0.0140(10) Uani 1 1 d . . . . .
C8 C 0.0723(5) 0.6545(5) 0.3792(2) 0.0115(10) Uani 1 1 d . . . . .
C1 C 0.1477(5) 0.6432(5) 0.5770(2) 0.0110(10) Uani 1 1 d . . . . .
C10 C 0.2849(6) 0.0926(5) 0.4378(2) 0.0162(11) Uani 1 1 d . . . . .
H10 H 0.191432 0.081833 0.447808 0.019 Uiso 1 1 calc R . . . .
C11 C 0.3296(6) 0.0214(5) 0.3766(2) 0.0167(11) Uani 1 1 d . . . . .
C6 C 0.2221(6) 0.5019(5) 0.5865(2) 0.0157(11) Uani 1 1 d . . . . .
H6 H 0.252288 0.468114 0.631769 0.019 Uiso 1 1 calc R . . . .
C2 C 0.1030(5) 0.6934(5) 0.5092(2) 0.0119(10) Uani 1 1 d . . . . .
H2 H 0.053028 0.788123 0.502490 0.014 Uiso 1 1 calc R . . . .
C15 C 0.2424(6) 0.2815(6) 0.2416(2) 0.0168(11) Uani 1 1 d . . . . .
C3 C 0.1324(5) 0.6036(5) 0.4517(2) 0.0115(10) Uani 1 1 d . . . . .
C14 C 0.5118(6) 0.1973(6) 0.4705(3) 0.0225(12) Uani 1 1 d . . . . .
H14 H 0.571039 0.258484 0.501166 0.027 Uiso 1 1 calc R . . . .
C9 C 0.3217(6) 0.2506(6) 0.5448(2) 0.0224(13) Uani 1 1 d . . . . .
H9A H 0.399213 0.264622 0.580962 0.027 Uiso 1 1 calc R . . . .
H9B H 0.253766 0.179338 0.563233 0.027 Uiso 1 1 calc R . . . .
C12 C 0.4731(6) 0.0423(6) 0.3658(3) 0.0218(12) Uani 1 1 d . . . . .
H12 H 0.508243 -0.001838 0.326212 0.026 Uiso 1 1 calc R . . . .
C13 C 0.5622(6) 0.1273(6) 0.4129(3) 0.0255(13) Uani 1 1 d . . . . .
H13 H 0.657157 0.137181 0.405620 0.031 Uiso 1 1 calc R . . . .
H15 H 0.335(7) 0.220(6) 0.249(3) 0.034(16) Uiso 1 1 d . . . . .


_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
Eu1 O2 2.379(3) 3_566 ?
Eu1 O7 2.533(4) 2_545 ?
Eu1 O4 2.363(3) 2_545 ?
Eu1 O1 2.353(3) 4_565 ?
Eu1 O3 2.384(3) 1_545 ?
Eu1 O6 2.449(3) . ?
Eu1 O6 2.567(3) 2_545 ?
Eu1 O5 2.328(4) . ?
O2 C7 1.255(6) . ?
O7 C15 1.253(6) . ?
O4 C8 1.271(5) . ?
O1 C7 1.275(5) . ?
O3 C8 1.254(5) . ?
O6 C15 1.267(6) . ?
O5 C11 1.288(6) . ?
O8 H8A 0.8500 . ?
O8 H8B 0.8499 . ?
N1 C10 1.356(6) . ?
N1 C14 1.337(7) . ?
N1 C9 1.484(6) . ?
C4 H4 0.9300 . ?
C4 C5 1.397(6) . ?
C4 C3 1.389(6) . ?
C5 C6 1.395(6) . ?
C5 C9 1.512(7) . ?
C7 C1 1.496(6) . ?
C8 C3 1.511(6) . ?
C1 C6 1.386(6) . ?
C1 C2 1.393(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.412(7) . ?
C11 C12 1.410(8) . ?
C6 H6 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.382(6) . ?
C15 H15 1.02(6) . ?
C14 H14 0.9300 . ?
C14 C13 1.372(7) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C12 H12 0.9300 . ?
C12 C13 1.379(7) . ?
C13 H13 0.9300 . ?

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
O2 Eu1 O7 75.99(11) 3_566 2_545 ?
O2 Eu1 O3 77.07(10) 3_566 1_545 ?
O2 Eu1 O6 74.65(10) 3_566 . ?
O2 Eu1 O6 122.20(11) 3_566 2_545 ?
O7 Eu1 O6 51.39(10) 2_545 2_545 ?
O4 Eu1 O2 109.67(11) 2_545 3_566 ?
O4 Eu1 O7 73.58(11) 2_545 2_545 ?
O4 Eu1 O3 147.05(12) 2_545 1_545 ?
O4 Eu1 O6 79.69(10) 2_545 2_545 ?
O4 Eu1 O6 75.38(11) 2_545 . ?
O1 Eu1 O2 164.49(12) 4_565 3_566 ?
O1 Eu1 O7 119.22(11) 4_565 2_545 ?
O1 Eu1 O4 79.46(11) 4_565 2_545 ?
O1 Eu1 O3 102.33(11) 4_565 1_545 ?
O1 Eu1 O6 96.42(11) 4_565 . ?
O1 Eu1 O6 70.96(11) 4_565 2_545 ?
O3 Eu1 O7 77.21(11) 1_545 2_545 ?
O3 Eu1 O6 135.86(11) 1_545 . ?
O3 Eu1 O6 70.23(10) 1_545 2_545 ?
O6 Eu1 O7 126.22(11) . 2_545 ?
O6 Eu1 O6 153.81(3) . 2_545 ?
O5 Eu1 O2 90.27(12) . 3_566 ?
O5 Eu1 O7 149.39(11) . 2_545 ?
O5 Eu1 O4 137.01(12) . 2_545 ?
O5 Eu1 O1 74.91(11) . 4_565 ?
O5 Eu1 O3 73.07(12) . 1_545 ?
O5 Eu1 O6 73.90(11) . . ?
O5 Eu1 O6 121.89(11) . 2_545 ?
C7 O2 Eu1 121.7(3) . 3_566 ?
C15 O7 Eu1 93.8(3) . 2 ?
C8 O4 Eu1 142.1(3) . 2 ?
C7 O1 Eu1 134.3(3) . 4_566 ?
C8 O3 Eu1 123.8(3) . 1_565 ?
Eu1 O6 Eu1 120.46(14) . 2 ?
C15 O6 Eu1 142.0(3) . . ?
C15 O6 Eu1 91.9(3) . 2 ?
C11 O5 Eu1 138.6(3) . . ?
H8A O8 H8B 109.5 . . ?
C10 N1 C9 118.1(5) . . ?
C14 N1 C10 122.5(4) . . ?
C14 N1 C9 119.4(4) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.0(4) . . ?
C4 C5 C9 123.7(4) . . ?
C6 C5 C4 119.3(4) . . ?
C6 C5 C9 116.7(4) . . ?
O2 C7 Eu1 39.0(2) . 3_566 ?
O2 C7 O1 124.2(4) . . ?
O2 C7 C1 118.2(4) . . ?
O1 C7 Eu1 85.2(3) . 3_566 ?
O1 C7 C1 117.6(4) . . ?
C1 C7 Eu1 157.1(3) . 3_566 ?
O4 C8 Eu1 94.5(2) . 1_565 ?
O4 C8 C3 116.8(4) . . ?
O3 C8 Eu1 37.5(2) . 1_565 ?
O3 C8 O4 125.8(4) . . ?
O3 C8 C3 117.3(4) . . ?
C3 C8 Eu1 142.5(3) . 1_565 ?
C6 C1 C7 120.9(4) . . ?
C6 C1 C2 119.4(4) . . ?
C2 C1 C7 119.7(4) . . ?
N1 C10 H10 119.5 . . ?
N1 C10 C11 120.9(5) . . ?
C11 C10 H10 119.5 . . ?
O5 C11 C10 121.9(5) . . ?
O5 C11 C12 122.2(5) . . ?
C12 C11 C10 115.9(5) . . ?
C5 C6 H6 119.7 . . ?
C1 C6 C5 120.7(4) . . ?
C1 C6 H6 119.7 . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.5(4) . . ?
C3 C2 H2 119.7 . . ?
Eu1 C15 H15 178(3) 2 . ?
O7 C15 Eu1 60.7(3) . 2 ?
O7 C15 O6 122.7(5) . . ?
O7 C15 H15 117(3) . . ?
O6 C15 Eu1 62.2(3) . 2 ?
O6 C15 H15 120(3) . . ?
C4 C3 C8 120.6(4) . . ?
C2 C3 C4 120.1(4) . . ?
C2 C3 C8 119.1(4) . . ?
N1 C14 H14 120.4 . . ?
N1 C14 C13 119.2(5) . . ?
C13 C14 H14 120.4 . . ?
N1 C9 C5 112.8(4) . . ?
N1 C9 H9A 109.0 . . ?
N1 C9 H9B 109.0 . . ?
C5 C9 H9A 109.0 . . ?
C5 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C11 C12 H12 119.5 . . ?
C13 C12 C11 120.9(5) . . ?
C13 C12 H12 119.5 . . ?
C14 C13 C12 120.5(5) . . ?
C14 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O2 C7 O1 1.0(7) 3_566 . . . ?
Eu1 O2 C7 C1 -178.3(3) 3_566 . . . ?
Eu1 O7 C15 O6 -5.4(5) 2 . . . ?
Eu1 O4 C8 Eu1 -56.8(4) 2 . . 1_565 ?
Eu1 O4 C8 O3 -34.5(8) 2 . . . ?
Eu1 O4 C8 C3 144.6(4) 2 . . . ?
Eu1 O1 C7 Eu1 83.6(3) 4_566 . . 3_566 ?
Eu1 O1 C7 O2 83.0(6) 4_566 . . . ?
Eu1 O1 C7 C1 -97.7(5) 4_566 . . . ?
Eu1 O3 C8 O4 -38.4(7) 1_565 . . . ?
Eu1 O3 C8 C3 142.5(3) 1_565 . . . ?
Eu1 O6 C15 Eu1 150.0(5) . . . 2 ?
Eu1 O6 C15 O7 155.3(3) . . . . ?
Eu1 O6 C15 O7 5.3(4) 2 . . . ?
Eu1 O5 C11 C10 44.1(7) . . . . ?
Eu1 O5 C11 C12 -135.8(4) . . . . ?
Eu1 C7 C1 C6 173.5(6) 3_566 . . . ?
Eu1 C7 C1 C2 -9.8(11) 3_566 . . . ?
Eu1 C8 C3 C4 -143.2(4) 1_565 . . . ?
Eu1 C8 C3 C2 42.2(7) 1_565 . . . ?
O2 C7 C1 C6 176.3(5) . . . . ?
O2 C7 C1 C2 -7.0(7) . . . . ?
O4 C8 C3 C4 0.1(7) . . . . ?
O4 C8 C3 C2 -174.5(4) . . . . ?
O1 C7 C1 C6 -3.0(7) . . . . ?
O1 C7 C1 C2 173.6(4) . . . . ?
O3 C8 C3 C4 179.2(5) . . . . ?
O3 C8 C3 C2 4.6(7) . . . . ?
O5 C11 C12 C13 -179.9(5) . . . . ?
N1 C10 C11 O5 -179.3(4) . . . . ?
N1 C10 C11 C12 0.6(7) . . . . ?
N1 C14 C13 C12 2.9(8) . . . . ?
C4 C5 C6 C1 -0.1(8) . . . . ?
C4 C5 C9 N1 17.8(8) . . . . ?
C5 C4 C3 C8 -175.2(5) . . . . ?
C5 C4 C3 C2 -0.6(8) . . . . ?
C7 C1 C6 C5 176.5(5) . . . . ?
C7 C1 C2 C3 -176.7(4) . . . . ?
C1 C2 C3 C4 0.4(7) . . . . ?
C1 C2 C3 C8 175.0(4) . . . . ?
C10 N1 C14 C13 -2.2(7) . . . . ?
C10 N1 C9 C5 -83.5(6) . . . . ?
C10 C11 C12 C13 0.2(7) . . . . ?
C11 C12 C13 C14 -1.9(8) . . . . ?
C6 C5 C9 N1 -168.1(5) . . . . ?
C6 C1 C2 C3 0.0(7) . . . . ?
C2 C1 C6 C5 -0.1(8) . . . . ?
C3 C4 C5 C6 0.4(8) . . . . ?
C3 C4 C5 C9 174.4(5) . . . . ?
C14 N1 C10 C11 0.4(7) . . . . ?
C14 N1 C9 C5 95.1(6) . . . . ?
C9 N1 C10 C11 178.9(4) . . . . ?
C9 N1 C14 C13 179.4(5) . . . . ?
C9 C5 C6 C1 -174.5(5) . . . . ?

_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
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.500
_oxdiff_exptl_absorpt_empirical_full_min 0.610
