#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:07:15 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/56/7705630.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7705630
loop_
_publ_author_name
'Gao, Xu-Sheng'
'Ding, Mei-Juan'
'Zhang, Jin'
'Zhao, Li-Duo'
'Ren, Xiao-Ming'
_publ_section_title
;
 Phase selectivity and tunable photophysical nature of rare earth
 metal-organic frameworks of Eu x
 Y₁₋ₓ-PTC (H₃PTC = 2,4,6-pyridine
 tricarboxylic acid; x = 0-1).
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14985
_journal_page_last               14994
_journal_paper_doi               10.1039/d0dt03150j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C16 H16 Eu0.12 N2 O18 Y1.88'
_chemical_formula_weight         709.69
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-06-25 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.1963(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.3079(4)
_cell_length_b                   6.8784(2)
_cell_length_c                   18.3684(4)
_cell_measurement_reflns_used    9161
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      2.68
_cell_volume                     2141.70(9)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0460
_diffrn_reflns_av_unetI/netI     0.0284
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28192
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.502
_diffrn_reflns_theta_min         3.195
_exptl_absorpt_coefficient_mu    5.519
_exptl_absorpt_correction_T_max  0.576
_exptl_absorpt_correction_T_min  0.277
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.201
_exptl_crystal_description       block
_exptl_crystal_F_000             1404
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.414
_refine_diff_density_min         -0.917
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         4894
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0251
_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)+(0.0265P)²+1.6511P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0561
_refine_ls_wR_factor_ref         0.0598
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4186
_reflns_number_total             4894
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03150j2.cif
_cod_data_source_block           1_CCDC11
_cod_depositor_comments
'Adding full bibliography for 7705619--7705631.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7705630
_shelx_shelxl_version_number     2016/6
_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. 
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Y1 Y 0.37354(2) 0.72310(3) 0.87679(2) 0.01061(6) Uani 0.94 1 d . . P . .
Eu1 Eu 0.37354(2) 0.72310(3) 0.87679(2) 0.01061(6) Uani 0.06 1 d . . P . .
Y2 Y 0.37551(2) 0.75317(3) 0.39584(2) 0.01327(6) Uani 0.94 1 d . . P . .
Eu2 Eu 0.37551(2) 0.75317(3) 0.39584(2) 0.01327(6) Uani 0.06 1 d . . P . .
C1 C 0.30270(15) 0.9662(4) 0.71026(14) 0.0150(5) Uani 1 1 d . . . . .
C2 C 0.38301(15) 0.9129(3) 0.71116(14) 0.0136(5) Uani 1 1 d . . . . .
C3 C 0.40686(15) 0.9350(3) 0.64841(15) 0.0146(5) Uani 1 1 d . . . . .
C4 C 0.48177(15) 0.8729(3) 0.65737(14) 0.0135(5) Uani 1 1 d . . . . .
C5 C 0.50831(15) 0.8741(3) 0.58860(14) 0.0137(5) Uani 1 1 d . . . . .
C6 C 0.53260(15) 0.8019(4) 0.72976(14) 0.0145(5) Uani 1 1 d . . . . .
C7 C 0.50390(14) 0.7837(3) 0.78929(14) 0.0137(5) Uani 1 1 d . . . . .
C8 C 0.55010(15) 0.7041(4) 0.87007(14) 0.0156(5) Uani 1 1 d . . . . .
C9 C 0.24716(15) 0.4233(4) 0.27097(14) 0.0154(5) Uani 1 1 d . . . . .
C10 C 0.18057(15) 0.3556(3) 0.29514(14) 0.0142(5) Uani 1 1 d . . . . .
C11 C 0.18290(16) 0.3644(4) 0.37157(15) 0.0175(5) Uani 1 1 d . . . . .
C12 C 0.11650(15) 0.3057(3) 0.38517(14) 0.0156(5) Uani 1 1 d . . . . .
C13 C 0.11593(15) 0.3056(3) 0.46680(14) 0.0161(5) Uani 1 1 d . . . . .
C14 C 0.05111(16) 0.2378(3) 0.32237(15) 0.0160(5) Uani 1 1 d . . . . .
C15 C 0.05529(15) 0.2257(3) 0.24884(14) 0.0134(5) Uani 1 1 d . . . . .
C16 C -0.00951(15) 0.1456(3) 0.17584(14) 0.0144(5) Uani 1 1 d . . . . .
O1 O 0.28615(11) 0.8904(3) 0.76564(11) 0.0213(4) Uani 1 1 d . . . . .
O2 O 0.25864(10) 1.0751(3) 0.65819(11) 0.0183(4) Uani 1 1 d . . . . .
O3 O 0.50888(11) 0.6673(3) 0.91156(10) 0.0191(4) Uani 1 1 d . . . . .
O4 O 0.62165(11) 0.6803(3) 0.89153(12) 0.0274(5) Uani 1 1 d . . . . .
O5 O 0.45974(11) 0.8157(3) 0.52476(10) 0.0213(4) Uani 1 1 d . . . . .
O6 O 0.57822(11) 0.9274(3) 0.60220(11) 0.0183(4) Uani 1 1 d . . . . .
O7 O 0.30684(11) 0.4933(3) 0.32324(11) 0.0219(4) Uani 1 1 d . . . . .
O8 O 0.23690(11) 0.4019(3) 0.20016(10) 0.0221(4) Uani 1 1 d . . . . .
O9 O 0.18108(11) 0.3152(3) 0.52498(10) 0.0205(4) Uani 1 1 d . . . . .
O10 O 0.05214(11) 0.2850(3) 0.47622(11) 0.0220(4) Uani 1 1 d . . . . .
O11 O -0.07152(11) 0.0852(3) 0.17948(11) 0.0209(4) Uani 1 1 d . . . . .
O12 O 0.00646(11) 0.1460(3) 0.11410(10) 0.0203(4) Uani 1 1 d . . . . .
O13 O 0.36644(12) 0.4599(3) 0.78987(12) 0.0226(4) Uani 1 1 d . . . . .
O14 O 0.37943(14) 0.4298(3) 0.94939(12) 0.0224(4) Uani 1 1 d . . . . .
O15 O 0.40653(16) 1.0580(3) 0.89810(14) 0.0272(5) Uani 1 1 d . . . . .
O16 O 0.28397(12) 0.8112(3) 0.45251(13) 0.0261(4) Uani 1 1 d . . . . .
O17 O 0.39555(14) 0.4602(3) 0.47137(13) 0.0244(4) Uani 1 1 d . . . . .
O18 O 0.28732(16) 0.6113(4) 0.57932(14) 0.0361(6) Uani 1 1 d . . . . .
N1 N 0.42991(12) 0.8329(3) 0.77897(12) 0.0134(4) Uani 1 1 d . . . . .
N2 N 0.11829(12) 0.2857(3) 0.23572(12) 0.0131(4) Uani 1 1 d . . . . .
H3 H 0.3726(15) 0.989(4) 0.6001(15) 0.009(6) Uiso 1 1 d . . . . .
H6 H 0.5829(19) 0.758(4) 0.7374(17) 0.020(8) Uiso 1 1 d . . . . .
H11 H 0.2266(18) 0.411(4) 0.4145(18) 0.020(8) Uiso 1 1 d . . . . .
H13A H 0.382(3) 0.463(6) 0.756(2) 0.057(14) Uiso 1 1 d . . . . .
H13B H 0.317(2) 0.420(5) 0.767(2) 0.046(11) Uiso 1 1 d . . . . .
H14 H 0.007(2) 0.193(5) 0.3311(19) 0.031(9) Uiso 1 1 d . . . . .
H14A H 0.418(3) 0.406(6) 0.993(3) 0.062(14) Uiso 1 1 d . . . . .
H14B H 0.339(3) 0.413(6) 0.954(2) 0.050(13) Uiso 1 1 d . . . . .
H15A H 0.451(3) 1.081(8) 0.926(3) 0.09(2) Uiso 1 1 d . . . . .
H15B H 0.382(3) 1.145(8) 0.885(3) 0.077(18) Uiso 1 1 d . . . . .
H16A H 0.293(3) 0.755(7) 0.500(3) 0.080(16) Uiso 1 1 d . . . . .
H16B H 0.235(3) 0.823(7) 0.422(3) 0.070(15) Uiso 1 1 d . . . . .
H17A H 0.430(2) 0.449(5) 0.509(2) 0.030(10) Uiso 1 1 d . . . . .
H17B H 0.391(2) 0.359(5) 0.452(2) 0.029(10) Uiso 1 1 d . . . . .
H18A H 0.253(3) 0.522(6) 0.559(2) 0.055(13) Uiso 1 1 d . . . . .
H18B H 0.336(3) 0.557(7) 0.607(3) 0.090(18) Uiso 1 1 d . . . . .
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'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O3 Y1 O1 128.02(6) . . ?
O3 Y1 O15 86.39(8) . . ?
O1 Y1 O15 73.58(8) . . ?
O3 Y1 O13 80.96(7) . . ?
O1 Y1 O13 86.75(7) . . ?
O15 Y1 O13 142.42(8) . . ?
O3 Y1 O14 83.69(7) . . ?
O1 Y1 O14 139.78(8) . . ?
O15 Y1 O14 140.24(8) . . ?
O13 Y1 O14 73.33(7) . . ?
O3 Y1 O9 121.61(6) . 2_556 ?
O1 Y1 O9 100.29(6) . 2_556 ?
O15 Y1 O9 77.13(7) . 2_556 ?
O13 Y1 O9 138.95(7) . 2_556 ?
O14 Y1 O9 75.73(7) . 2_556 ?
O3 Y1 O2 146.30(6) . 2_546 ?
O1 Y1 O2 72.52(6) . 2_546 ?
O15 Y1 O2 127.16(8) . 2_546 ?
O13 Y1 O2 73.34(7) . 2_546 ?
O14 Y1 O2 68.44(7) . 2_546 ?
O9 Y1 O2 70.56(6) 2_556 2_546 ?
O3 Y1 N1 64.22(6) . . ?
O1 Y1 N1 63.97(6) . . ?
O15 Y1 N1 71.20(7) . . ?
O13 Y1 N1 71.42(7) . . ?
O14 Y1 N1 135.14(7) . . ?
O9 Y1 N1 147.47(7) 2_556 . ?
O2 Y1 N1 124.43(6) 2_546 . ?
O3 Y1 O10 69.75(6) . 2_556 ?
O1 Y1 O10 138.35(7) . 2_556 ?
O15 Y1 O10 70.37(7) . 2_556 ?
O13 Y1 O10 134.88(7) . 2_556 ?
O14 Y1 O10 70.06(7) . 2_556 ?
O9 Y1 O10 51.90(6) 2_556 2_556 ?
O2 Y1 O10 114.85(6) 2_546 2_556 ?
N1 Y1 O10 120.54(6) . 2_556 ?
O3 Y1 C13 95.48(7) . 2_556 ?
O1 Y1 C13 122.51(7) . 2_556 ?
O15 Y1 C13 74.10(7) . 2_556 ?
O13 Y1 C13 142.03(7) . 2_556 ?
O14 Y1 C13 68.71(7) . 2_556 ?
O9 Y1 C13 26.16(7) 2_556 2_556 ?
O2 Y1 C13 91.75(7) 2_546 2_556 ?
N1 Y1 C13 140.44(7) . 2_556 ?
O10 Y1 C13 25.92(6) 2_556 2_556 ?
O7 Y2 O16 93.71(7) . . ?
O7 Y2 O5 137.82(7) . . ?
O16 Y2 O5 79.90(7) . . ?
O7 Y2 O6 148.28(6) . 3_676 ?
O16 Y2 O6 98.61(7) . 3_676 ?
O5 Y2 O6 73.44(6) . 3_676 ?
O7 Y2 O12 91.63(7) . 2 ?
O16 Y2 O12 158.34(7) . 2 ?
O5 Y2 O12 82.07(7) . 2 ?
O6 Y2 O12 87.58(6) 3_676 2 ?
O7 Y2 O8 76.93(7) . 2 ?
O16 Y2 O8 71.86(7) . 2 ?
O5 Y2 O8 136.95(7) . 2 ?
O6 Y2 O8 79.34(7) 3_676 2 ?
O12 Y2 O8 129.79(6) 2 2 ?
O7 Y2 O17 67.20(7) . . ?
O16 Y2 O17 82.13(8) . . ?
O5 Y2 O17 70.63(7) . . ?
O6 Y2 O17 143.35(7) 3_676 . ?
O12 Y2 O17 80.64(7) 2 . ?
O8 Y2 O17 133.81(8) 2 . ?
O7 Y2 N2 73.76(6) . 2 ?
O16 Y2 N2 137.03(7) . 2 ?
O5 Y2 N2 136.13(7) . 2 ?
O6 Y2 N2 77.35(6) 3_676 2 ?
O12 Y2 N2 64.54(6) 2 2 ?
O8 Y2 N2 65.32(6) 2 2 ?
O17 Y2 N2 126.09(7) . 2 ?
O2 C1 O1 125.4(2) . . ?
O2 C1 C2 120.1(2) . . ?
O1 C1 C2 114.5(2) . . ?
N1 C2 C3 121.8(2) . . ?
N1 C2 C1 113.0(2) . . ?
C3 C2 C1 125.1(2) . . ?
C4 C3 C2 118.4(2) . . ?
C3 C4 C6 119.7(2) . . ?
C3 C4 C5 120.9(2) . . ?
C6 C4 C5 119.3(2) . . ?
O5 C5 O6 126.3(2) . . ?
O5 C5 C4 116.4(2) . . ?
O6 C5 C4 117.2(2) . . ?
C7 C6 C4 118.0(2) . . ?
N1 C7 C6 122.0(2) . . ?
N1 C7 C8 113.2(2) . . ?
C6 C7 C8 124.8(2) . . ?
O4 C8 O3 125.3(2) . . ?
O4 C8 C7 119.9(2) . . ?
O3 C8 C7 114.8(2) . . ?
O7 C9 O8 126.2(2) . . ?
O7 C9 C10 117.4(2) . . ?
O8 C9 C10 116.5(2) . . ?
N2 C10 C11 122.2(2) . . ?
N2 C10 C9 113.8(2) . . ?
C11 C10 C9 124.1(2) . . ?
C10 C11 C12 118.3(2) . . ?
C11 C12 C14 119.0(2) . . ?
C11 C12 C13 121.0(2) . . ?
C14 C12 C13 119.9(2) . . ?
O10 C13 O9 121.3(2) . . ?
O10 C13 C12 119.8(2) . . ?
O9 C13 C12 118.8(2) . . ?
O10 C13 Y1 63.35(13) . 2_546 ?
O9 C13 Y1 58.60(12) . 2_546 ?
C12 C13 Y1 167.93(17) . 2_546 ?
C15 C14 C12 118.8(2) . . ?
N2 C15 C14 122.0(2) . . ?
N2 C15 C16 113.2(2) . . ?
C14 C15 C16 124.8(2) . . ?
O11 C16 O12 125.1(2) . . ?
O11 C16 C15 120.1(2) . . ?
O12 C16 C15 114.8(2) . . ?
C1 O1 Y1 126.86(16) . . ?
C1 O2 Y1 137.25(16) . 2_556 ?
C8 O3 Y1 127.13(16) . . ?
C5 O5 Y2 170.00(17) . . ?
C5 O6 Y2 127.39(16) . 3_676 ?
C9 O7 Y2 151.03(18) . . ?
C9 O8 Y2 124.74(16) . 2_545 ?
C13 O9 Y1 95.24(15) . 2_546 ?
C13 O10 Y1 90.73(15) . 2_546 ?
C16 O12 Y2 126.58(16) . 2_545 ?
C2 N1 C7 119.7(2) . . ?
C2 N1 Y1 119.98(16) . . ?
C7 N1 Y1 119.45(16) . . ?
C15 N2 C10 119.7(2) . . ?
C15 N2 Y2 120.82(16) . 2_545 ?
C10 N2 Y2 119.43(16) . 2_545 ?
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
Y1 O3 2.3448(18) . ?
Y1 O1 2.3630(18) . ?
Y1 O15 2.376(2) . ?
Y1 O13 2.385(2) . ?
Y1 O14 2.398(2) . ?
Y1 O9 2.4537(18) 2_556 ?
Y1 O2 2.4761(18) 2_546 ?
Y1 N1 2.503(2) . ?
Y1 O10 2.5587(18) 2_556 ?
Y1 C13 2.863(2) 2_556 ?
Y2 O7 2.2992(18) . ?
Y2 O16 2.317(2) . ?
Y2 O5 2.3264(18) . ?
Y2 O6 2.3502(17) 3_676 ?
Y2 O12 2.3546(18) 2 ?
Y2 O8 2.3769(18) 2 ?
Y2 O17 2.395(2) . ?
Y2 N2 2.472(2) 2 ?
C1 O2 1.242(3) . ?
C1 O1 1.277(3) . ?
C1 C2 1.509(3) . ?
C2 N1 1.335(3) . ?
C2 C3 1.387(3) . ?
C3 C4 1.386(3) . ?
C4 C6 1.392(3) . ?
C4 C5 1.515(3) . ?
C5 O5 1.241(3) . ?
C5 O6 1.262(3) . ?
C6 C7 1.386(3) . ?
C7 N1 1.338(3) . ?
C7 C8 1.506(3) . ?
C8 O4 1.228(3) . ?
C8 O3 1.284(3) . ?
C9 O7 1.247(3) . ?
C9 O8 1.251(3) . ?
C9 C10 1.520(3) . ?
C10 N2 1.335(3) . ?
C10 C11 1.389(3) . ?
C11 C12 1.390(3) . ?
C12 C14 1.392(4) . ?
C12 C13 1.503(3) . ?
C13 O10 1.252(3) . ?
C13 O9 1.267(3) . ?
C14 C15 1.384(3) . ?
C15 N2 1.330(3) . ?
C15 C16 1.519(3) . ?
C16 O11 1.234(3) . ?
C16 O12 1.274(3) . ?
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
O2 C1 C2 N1 165.8(2) . . . . ?
O1 C1 C2 N1 -14.4(3) . . . . ?
O2 C1 C2 C3 -16.6(4) . . . . ?
O1 C1 C2 C3 163.1(2) . . . . ?
N1 C2 C3 C4 -0.4(4) . . . . ?
C1 C2 C3 C4 -177.8(2) . . . . ?
C2 C3 C4 C6 -4.0(4) . . . . ?
C2 C3 C4 C5 173.7(2) . . . . ?
C3 C4 C5 O5 -42.6(3) . . . . ?
C6 C4 C5 O5 135.1(3) . . . . ?
C3 C4 C5 O6 139.8(2) . . . . ?
C6 C4 C5 O6 -42.5(3) . . . . ?
C3 C4 C6 C7 4.3(4) . . . . ?
C5 C4 C6 C7 -173.4(2) . . . . ?
C4 C6 C7 N1 -0.3(4) . . . . ?
C4 C6 C7 C8 178.1(2) . . . . ?
N1 C7 C8 O4 -169.2(2) . . . . ?
C6 C7 C8 O4 12.2(4) . . . . ?
N1 C7 C8 O3 10.4(3) . . . . ?
C6 C7 C8 O3 -168.1(2) . . . . ?
O7 C9 C10 N2 178.9(2) . . . . ?
O8 C9 C10 N2 -1.6(3) . . . . ?
O7 C9 C10 C11 -1.0(4) . . . . ?
O8 C9 C10 C11 178.5(2) . . . . ?
N2 C10 C11 C12 -2.8(4) . . . . ?
C9 C10 C11 C12 177.2(2) . . . . ?
C10 C11 C12 C14 1.0(4) . . . . ?
C10 C11 C12 C13 178.1(2) . . . . ?
C11 C12 C13 O10 167.7(2) . . . . ?
C14 C12 C13 O10 -15.3(4) . . . . ?
C11 C12 C13 O9 -16.3(4) . . . . ?
C14 C12 C13 O9 160.7(2) . . . . ?
C11 C12 C13 Y1 -90.6(9) . . . 2_546 ?
C14 C12 C13 Y1 86.4(9) . . . 2_546 ?
C11 C12 C14 C15 1.9(4) . . . . ?
C13 C12 C14 C15 -175.2(2) . . . . ?
C12 C14 C15 N2 -3.4(4) . . . . ?
C12 C14 C15 C16 176.9(2) . . . . ?
N2 C15 C16 O11 -179.8(2) . . . . ?
C14 C15 C16 O11 0.0(4) . . . . ?
N2 C15 C16 O12 0.8(3) . . . . ?
C14 C15 C16 O12 -179.5(2) . . . . ?
O2 C1 O1 Y1 -169.85(19) . . . . ?
C2 C1 O1 Y1 10.4(3) . . . . ?
O1 C1 O2 Y1 1.9(4) . . . 2_556 ?
C2 C1 O2 Y1 -178.40(16) . . . 2_556 ?
O4 C8 O3 Y1 176.8(2) . . . . ?
C7 C8 O3 Y1 -2.8(3) . . . . ?
O5 C5 O6 Y2 97.4(3) . . . 3_676 ?
C4 C5 O6 Y2 -85.3(2) . . . 3_676 ?
O8 C9 O7 Y2 91.9(4) . . . . ?
C10 C9 O7 Y2 -88.7(4) . . . . ?
O7 C9 O8 Y2 176.83(19) . . . 2_545 ?
C10 C9 O8 Y2 -2.6(3) . . . 2_545 ?
O10 C13 O9 Y1 9.6(3) . . . 2_546 ?
C12 C13 O9 Y1 -166.36(19) . . . 2_546 ?
O9 C13 O10 Y1 -9.1(2) . . . 2_546 ?
C12 C13 O10 Y1 166.8(2) . . . 2_546 ?
O11 C16 O12 Y2 -178.66(18) . . . 2_545 ?
C15 C16 O12 Y2 0.8(3) . . . 2_545 ?
C3 C2 N1 C7 4.5(4) . . . . ?
C1 C2 N1 C7 -177.9(2) . . . . ?
C3 C2 N1 Y1 -165.05(18) . . . . ?
C1 C2 N1 Y1 12.6(3) . . . . ?
C6 C7 N1 C2 -4.1(4) . . . . ?
C8 C7 N1 C2 177.3(2) . . . . ?
C6 C7 N1 Y1 165.48(18) . . . . ?
C8 C7 N1 Y1 -13.1(3) . . . . ?
C14 C15 N2 C10 1.7(4) . . . . ?
C16 C15 N2 C10 -178.5(2) . . . . ?
C14 C15 N2 Y2 178.39(17) . . . 2_545 ?
C16 C15 N2 Y2 -1.8(3) . . . 2_545 ?
C11 C10 N2 C15 1.4(4) . . . . ?
C9 C10 N2 C15 -178.5(2) . . . . ?
C11 C10 N2 Y2 -175.30(18) . . . 2_545 ?
C9 C10 N2 Y2 4.8(3) . . . 2_545 ?
