#------------------------------------------------------------------------------
#$Date: 2022-08-13 02:02:19 +0300 (Sat, 13 Aug 2022) $
#$Revision: 277229 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/09/7710955.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_7710955
loop_
_publ_author_name
'Storm Thomsen, Maria'
'Andersen, Helene O. B.'
'Sørensen, Thomas Just'
_publ_section_title
;
 Long Story Short: Donor Set Symmetry in Eu.DOTA Crystals Determines the
 Electronic Structure
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02172B
_journal_year                    2022
_chemical_formula_moiety         'C30 H50 B2 Eu N6 O13 P2, Cl, 4.32(H2 O)'
_chemical_formula_sum            'C30 H58.64 B2 Cl Eu N6 O17.32 P2'
_chemical_formula_weight         1051.56
_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
_audit_creation_date             2022-03-15
_audit_creation_method
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_audit_update_record
;
2022-05-04 deposited with the CCDC.	2022-08-12 downloaded from the CCDC.
;
_cell_angle_alpha                97.955(4)
_cell_angle_beta                 96.588(3)
_cell_angle_gamma                113.624(3)
_cell_formula_units_Z            2
_cell_length_a                   10.8019(10)
_cell_length_b                   13.0077(13)
_cell_length_c                   16.9777(16)
_cell_measurement_reflns_used    9847
_cell_measurement_temperature    100
_cell_measurement_theta_max      36.26
_cell_measurement_theta_min      2.40
_cell_volume                     2126.1(4)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_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  0.0542
_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            123351
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.141
_diffrn_reflns_theta_min         1.745
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.691
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.6155
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1153 before and 0.0677 after correction.
The Ratio of minimum to maximum transmission is 0.8239.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_description       plate
_exptl_crystal_F_000             1078
_exptl_crystal_size_max          0.413
_exptl_crystal_size_mid          0.271
_exptl_crystal_size_min          0.084
_refine_diff_density_max         1.608
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         16216
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0213P)²+2.0104P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0554
_refine_ls_wR_factor_ref         0.0583
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14453
_reflns_number_total             16216
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02172b5.cif
_cod_data_source_block           mo_d8v5039_0m_a
_cod_database_code               7710955
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.871
_shelx_estimated_absorpt_t_min   0.542
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2. Others
 Sof(Cl2)=1-FVAR(1)
 Sof(Cl1)=FVAR(1)
 Sof(O17)=Sof(H17A)=Sof(H17B)=FVAR(2)
3.a Free rotating group:
 O16(H16C,H16D), O9(H9C,H9D), O7(H7D,H7E), O17(H17A,H17B)
3.b Rotating group:
 O12(H12A)
3.c Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C6(H6A,H6B), C8(H8A,H8B), C10(H10A,H10B), C14(H14A,H14B),
 C16(H16A,H16B), C26(H26A,H26B), C28(H28A,H28B), C15(H15A,H15B), C2(H2A,H2B),
 C9(H9A,H9B), C5(H5A,H5B), C25(H25A,H25B), C27(H27A,H27B)
3.d Aromatic/amide H refined with riding coordinates:
 N1(H1), N3(H3), C20(H20), C24(H24), C17(H17), C21(H21), C11(H11A), C23(H23),
 C3(H3A), C13(H13A)
3.e Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C29(H29A,H29B,H29C)
3.f Idealised tetrahedral OH refined as rotating group:
 O18(H18), O11(H11), O13(H13)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.28913(2) 0.27792(2) 0.27833(2) 0.00683(2) Uani 1 1 d . . . . .
P1 P 0.15911(4) 0.32897(3) 0.45338(2) 0.00923(7) Uani 1 1 d . . . . .
P2 P 0.49752(4) 0.27596(3) 0.13389(2) 0.00856(7) Uani 1 1 d . . . . .
Cl1 Cl 0.0804(2) 0.6833(4) 0.14015(18) 0.0191(5) Uani 0.68(3) 1 d . . P A 1
O1 O 0.25910(11) 0.37352(9) 0.39773(7) 0.0105(2) Uani 1 1 d . . . . .
O4 O 0.51734(13) 0.18330(10) 0.08283(7) 0.0141(2) Uani 1 1 d . . . . .
O6 O 0.32215(12) 0.15310(9) 0.36003(7) 0.01028(19) Uani 1 1 d . . . . .
O8 O 0.07192(12) 0.39077(10) 0.47044(7) 0.0141(2) Uani 1 1 d . . . . .
O10 O 0.74112(13) 1.01837(11) 0.08387(8) 0.0165(2) Uani 1 1 d . . . . .
O12 O 0.51137(12) 0.38896(10) 0.37105(7) 0.0123(2) Uani 1 1 d . . . . .
H12A H 0.500096 0.386257 0.419594 0.018 Uiso 1 1 d R U . . .
O14 O 0.46522(11) 0.25920(10) 0.21737(7) 0.0106(2) Uani 1 1 d . . . . .
O16 O 0.53664(13) 0.39897(10) 0.53549(8) 0.0166(2) Uani 1 1 d G . . . .
H16C H 0.593096 0.466164 0.559961 0.025 Uiso 1 1 d G U . . .
H16D H 0.459467 0.392743 0.546535 0.025 Uiso 1 1 d G U . . .
O18 O 0.50525(13) 0.97989(10) 0.09515(8) 0.0151(2) Uani 1 1 d . . . . .
H18 H 0.529983 1.048120 0.089751 0.023 Uiso 1 1 calc R U . . .
O9 O -0.13082(13) 0.38633(11) 0.55131(8) 0.0173(2) Uani 1 1 d G . . . .
H9C H -0.065378 0.380922 0.530372 0.026 Uiso 1 1 d G U . . .
H9D H -0.122621 0.453560 0.548951 0.026 Uiso 1 1 d G U . . .
O5 O 0.24782(12) 0.33039(10) 0.53574(7) 0.0144(2) Uani 1 1 d . . . . .
O11 O 0.30466(13) -0.28439(11) 0.60024(8) 0.0166(2) Uani 1 1 d . . . . .
H11 H 0.264175 -0.295576 0.552456 0.025 Uiso 1 1 calc R U . . .
O3 O 0.36550(12) 0.46417(9) 0.24620(7) 0.0113(2) Uani 1 1 d . . . . .
O13 O 0.41094(13) -0.13744(11) 0.71527(7) 0.0160(2) Uani 1 1 d . . . . .
H13 H 0.428245 -0.189522 0.731028 0.024 Uiso 1 1 calc R U . . .
O7 O 0.76122(14) 1.17933(12) -0.00874(8) 0.0216(3) Uani 1 1 d G . . . .
H7D H 0.676892 1.146348 -0.035410 0.032 Uiso 1 1 d G U . . .
H7E H 0.809461 1.212053 -0.043249 0.032 Uiso 1 1 d G U . . .
O15 O 0.62839(12) 0.39510(10) 0.14907(7) 0.0133(2) Uani 1 1 d . . . . .
N1 N 0.29723(14) -0.02120(11) 0.38454(8) 0.0104(2) Uani 1 1 d . . . . .
H1 H 0.275907 -0.092243 0.360810 0.012 Uiso 1 1 calc R U . . .
N4 N 0.04245(13) 0.14974(11) 0.31936(8) 0.0098(2) Uani 1 1 d . . . . .
N6 N 0.22621(13) 0.24938(11) 0.11445(8) 0.0102(2) Uani 1 1 d . . . . .
N3 N 0.33348(14) 0.61218(11) 0.20475(9) 0.0121(2) Uani 1 1 d . . . . .
H3 H 0.272573 0.640685 0.197690 0.015 Uiso 1 1 calc R U . . .
O2 O 0.19632(18) -0.25880(12) 0.32363(10) 0.0283(3) Uani 1 1 d . . . . .
N2 N 0.18222(13) 0.05746(11) 0.20461(8) 0.0099(2) Uani 1 1 d . . . . .
N5 N 0.08480(13) 0.33897(11) 0.22923(8) 0.0105(2) Uani 1 1 d . . . . .
C1 C 0.29542(15) 0.04988(12) 0.33547(9) 0.0086(2) Uani 1 1 d . . . . .
C4 C 0.15111(17) 0.12545(13) 0.07603(9) 0.0132(3) Uani 1 1 d . . . . .
H4A H 0.164195 0.115210 0.019176 0.016 Uiso 1 1 calc R U . . .
H4B H 0.051591 0.101771 0.075101 0.016 Uiso 1 1 calc R U . . .
C6 C 0.26063(16) 0.00240(13) 0.24560(9) 0.0106(3) Uani 1 1 d . . . . .
H6A H 0.346246 0.017284 0.224071 0.013 Uiso 1 1 calc R U . . .
H6B H 0.204943 -0.081511 0.234923 0.013 Uiso 1 1 calc R U . . .
C8 C 0.00477(16) 0.02496(13) 0.29318(9) 0.0116(3) Uani 1 1 d . . . . .
H8A H -0.094434 -0.019095 0.292513 0.014 Uiso 1 1 calc R U . . .
H8B H 0.057034 0.000890 0.332714 0.014 Uiso 1 1 calc R U . . .
C10 C 0.19580(17) 0.04687(13) 0.11789(9) 0.0123(3) Uani 1 1 d . . . . .
H10A H 0.139309 -0.033417 0.089248 0.015 Uiso 1 1 calc R U . . .
H10B H 0.292930 0.065114 0.114274 0.015 Uiso 1 1 calc R U . . .
C12 C 0.34998(16) -0.07342(13) 0.59148(9) 0.0113(3) Uani 1 1 d . . . . .
C14 C 0.14518(16) 0.46566(13) 0.24621(10) 0.0126(3) Uani 1 1 d . . . . .
H14A H 0.144268 0.494317 0.303184 0.015 Uiso 1 1 calc R U . . .
H14B H 0.088909 0.491598 0.210871 0.015 Uiso 1 1 calc R U . . .
C16 C 0.35794(16) 0.30350(13) 0.08527(9) 0.0108(3) Uani 1 1 d . . . . .
H16A H 0.386757 0.387341 0.094614 0.013 Uiso 1 1 calc R U . . .
H16B H 0.341689 0.274973 0.026155 0.013 Uiso 1 1 calc R U . . .
C18 C 0.29135(16) 0.51457(13) 0.23163(9) 0.0102(3) Uani 1 1 d . . . . .
C20 C 0.47992(16) 0.77719(13) 0.15979(9) 0.0111(3) Uani 1 1 d . . . . .
H20 H 0.408028 0.801682 0.159620 0.013 Uiso 1 1 calc R U . . .
C22 C 0.59983(16) 0.84281(13) 0.13382(9) 0.0114(3) Uani 1 1 d . . . . .
C24 C 0.31828(16) -0.08856(13) 0.50736(9) 0.0107(3) Uani 1 1 d . . . . .
H24 H 0.288740 -0.162621 0.474705 0.013 Uiso 1 1 calc R U . . .
C26 C -0.03073(16) 0.29694(14) 0.27425(10) 0.0122(3) Uani 1 1 d . . . . .
H26A H -0.111157 0.304821 0.246339 0.015 Uiso 1 1 calc R U . . .
H26B H -0.002679 0.344777 0.329470 0.015 Uiso 1 1 calc R U . . .
C28 C 0.05943(16) 0.17700(13) 0.40920(9) 0.0113(3) Uani 1 1 d . . . . .
H28A H 0.105469 0.133062 0.432811 0.014 Uiso 1 1 calc R U . . .
H28B H -0.032692 0.151663 0.424049 0.014 Uiso 1 1 calc R U . . .
C30 C 0.32937(16) 0.00362(13) 0.47054(9) 0.0100(2) Uani 1 1 d . . . . .
C15 C 0.13886(17) 0.30861(14) 0.09071(9) 0.0125(3) Uani 1 1 d . . . . .
H15A H 0.094860 0.277897 0.032929 0.015 Uiso 1 1 calc R U . . .
H15B H 0.197838 0.391418 0.097009 0.015 Uiso 1 1 calc R U . . .
C2 C 0.03513(16) -0.00226(13) 0.20971(9) 0.0117(3) Uani 1 1 d . . . . .
H2A H 0.005855 -0.085953 0.194206 0.014 Uiso 1 1 calc R U . . .
H2B H -0.020163 0.019282 0.170166 0.014 Uiso 1 1 calc R U . . .
C17 C 0.70395(16) 0.80458(13) 0.13594(9) 0.0124(3) Uani 1 1 d . . . . .
H17 H 0.786062 0.847171 0.117930 0.015 Uiso 1 1 calc R U . . .
C9 C 0.02864(17) 0.29305(15) 0.14130(10) 0.0143(3) Uani 1 1 d . . . . .
H9A H -0.027794 0.332007 0.122309 0.017 Uiso 1 1 calc R U . . .
H9B H -0.032442 0.210357 0.133009 0.017 Uiso 1 1 calc R U . . .
C19 C 0.46379(16) 0.67624(13) 0.18599(9) 0.0104(3) Uani 1 1 d . . . . .
C5 C -0.07142(16) 0.17274(13) 0.28001(10) 0.0127(3) Uani 1 1 d . . . . .
H5A H -0.147179 0.149077 0.310870 0.015 Uiso 1 1 calc R U . . .
H5B H -0.107032 0.124827 0.224737 0.015 Uiso 1 1 calc R U . . .
C21 C 0.37290(19) 0.11282(14) 0.51752(10) 0.0159(3) Uani 1 1 d . . . . .
H21 H 0.381908 0.175966 0.492720 0.019 Uiso 1 1 calc R U . . .
C11 C 0.39159(18) 0.03666(15) 0.63798(10) 0.0158(3) Uani 1 1 d . . . . .
H11A H 0.412229 0.048671 0.695334 0.019 Uiso 1 1 calc R U . . .
C23 C 0.56979(16) 0.64033(13) 0.18907(9) 0.0119(3) Uani 1 1 d . . . . .
H23 H 0.560029 0.572608 0.208029 0.014 Uiso 1 1 calc R U . . .
C3 C 0.68987(16) 0.70577(14) 0.16379(10) 0.0132(3) Uani 1 1 d . . . . .
H3A H 0.762951 0.682618 0.165614 0.016 Uiso 1 1 calc R U . . .
B1 B 0.35299(18) -0.17138(16) 0.63533(11) 0.0125(3) Uani 1 1 d . . . . .
C25 C 0.7273(2) 0.41700(17) 0.09568(12) 0.0243(4) Uani 1 1 d . . . . .
H25A H 0.743298 0.347729 0.080240 0.029 Uiso 1 1 calc R U . . .
H25B H 0.815927 0.480178 0.124317 0.029 Uiso 1 1 calc R U . . .
C13 C 0.4030(2) 0.12797(15) 0.60158(10) 0.0197(3) Uani 1 1 d . . . . .
H13A H 0.431795 0.201933 0.634209 0.024 Uiso 1 1 calc R U . . .
B2 B 0.61572(19) 0.95466(15) 0.10142(10) 0.0124(3) Uani 1 1 d . . . . .
C27 C 0.2068(2) 0.3460(2) 0.61347(11) 0.0284(4) Uani 1 1 d . . . . .
H27A H 0.165594 0.401726 0.615012 0.034 Uiso 1 1 calc R U . . .
H27B H 0.288951 0.377539 0.657250 0.034 Uiso 1 1 calc R U . . .
C7 C 0.6759(3) 0.4488(2) 0.02058(13) 0.0472(8) Uani 1 1 d . . . . .
H7A H 0.656207 0.515326 0.036049 0.071 Uiso 1 1 calc R U . . .
H7B H 0.591752 0.384062 -0.009803 0.071 Uiso 1 1 calc R U . . .
H7C H 0.746362 0.467718 -0.013310 0.071 Uiso 1 1 calc R U . . .
C29 C 0.1060(3) 0.2359(2) 0.62718(16) 0.0395(6) Uani 1 1 d . . . . .
H29A H 0.144513 0.179219 0.622054 0.059 Uiso 1 1 calc R U . . .
H29B H 0.021167 0.208413 0.586920 0.059 Uiso 1 1 calc R U . . .
H29C H 0.085487 0.247091 0.681632 0.059 Uiso 1 1 calc R U . . .
Cl2 Cl 0.0566(15) 0.7056(9) 0.1394(4) 0.026(2) Uani 0.32(3) 1 d . . P A 2
O17 O 0.9597(5) 0.5221(4) -0.0402(3) 0.0271(13) Uani 0.320(5) 1 d G . P . .
H17A H 0.971087 0.459090 -0.047320 0.041 Uiso 0.320(5) 1 d G U P . .
H17B H 0.890492 0.506973 -0.015177 0.041 Uiso 0.320(5) 1 d G U P . .
H10 H 0.742(3) 1.067(2) 0.0626(17) 0.032(7) Uiso 1 1 d . . . . .
H12B H 0.564(3) 0.365(2) 0.3643(16) 0.026(7) Uiso 1 1 d . . . . .
H2C H 0.148(2) -0.2783(19) 0.2766(15) 0.016(5) Uiso 1 1 d . . . . .
H2D H 0.161(3) -0.306(3) 0.3504(19) 0.046(9) 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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 -1.00 0.00 0.1290
0.00 1.00 0.00 0.1290
-1.00 0.00 0.00 0.1240
1.00 0.00 0.00 0.1280
0.00 0.00 1.00 0.0420
0.00 0.00 -1.00 0.0270
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
P2 Eu1 P1 165.695(10) . . ?
O1 Eu1 P1 19.10(3) . . ?
O1 Eu1 P2 148.30(3) . . ?
O1 Eu1 O6 85.15(4) . . ?
O1 Eu1 O12 69.53(4) . . ?
O1 Eu1 O3 82.39(4) . . ?
O1 Eu1 N4 69.09(4) . . ?
O1 Eu1 N6 140.61(4) . . ?
O1 Eu1 N2 132.93(4) . . ?
O1 Eu1 N5 75.30(4) . . ?
O1 Eu1 C1 101.08(4) . . ?
O6 Eu1 P1 74.95(3) . . ?
O6 Eu1 P2 103.07(3) . . ?
O6 Eu1 O12 73.32(4) . . ?
O6 Eu1 O3 149.52(4) . . ?
O6 Eu1 N4 71.27(4) . . ?
O6 Eu1 N6 130.63(4) . . ?
O6 Eu1 N2 65.17(4) . . ?
O6 Eu1 N5 137.20(4) . . ?
O6 Eu1 C1 18.16(4) . . ?
O12 Eu1 P1 82.46(3) . . ?
O12 Eu1 P2 83.41(3) . . ?
O12 Eu1 N4 126.79(4) . . ?
O12 Eu1 N6 129.60(4) . . ?
O12 Eu1 N2 127.79(4) . . ?
O12 Eu1 N5 130.42(4) . . ?
O12 Eu1 C1 87.20(4) . . ?
O14 Eu1 P1 150.25(3) . . ?
O14 Eu1 P2 19.44(3) . . ?
O14 Eu1 O1 140.06(4) . . ?
O14 Eu1 O6 85.23(4) . . ?
O14 Eu1 O12 70.57(4) . . ?
O14 Eu1 O3 86.69(4) . . ?
O14 Eu1 N4 141.67(4) . . ?
O14 Eu1 N6 69.15(4) . . ?
O14 Eu1 N2 75.65(4) . . ?
O14 Eu1 N5 133.04(4) . . ?
O14 Eu1 C1 78.57(4) . . ?
O3 Eu1 P1 99.18(3) . . ?
O3 Eu1 P2 75.19(3) . . ?
O3 Eu1 O12 76.28(4) . . ?
O3 Eu1 N4 128.30(4) . . ?
O3 Eu1 N6 72.42(4) . . ?
O3 Eu1 N2 140.05(4) . . ?
O3 Eu1 N5 65.22(4) . . ?
O3 Eu1 C1 160.83(4) . . ?
N4 Eu1 P1 50.79(3) . . ?
N4 Eu1 P2 142.60(3) . . ?
N4 Eu1 C1 69.68(4) . . ?
N6 Eu1 P1 140.45(3) . . ?
N6 Eu1 P2 51.06(3) . . ?
N6 Eu1 N4 103.61(4) . . ?
N6 Eu1 C1 112.70(4) . . ?
N2 Eu1 P1 113.96(3) . . ?
N2 Eu1 P2 76.85(3) . . ?
N2 Eu1 N4 67.17(4) . . ?
N2 Eu1 N6 67.85(4) . . ?
N2 Eu1 N5 101.73(4) . . ?
N2 Eu1 C1 47.28(4) . . ?
N5 Eu1 P1 74.51(3) . . ?
N5 Eu1 P2 113.60(3) . . ?
N5 Eu1 N4 66.26(4) . . ?
N5 Eu1 N6 66.85(4) . . ?
N5 Eu1 C1 133.95(4) . . ?
C1 Eu1 P1 88.04(3) . . ?
C1 Eu1 P2 93.53(3) . . ?
O1 P1 Eu1 30.67(4) . . ?
O1 P1 O5 106.52(7) . . ?
O1 P1 C28 105.08(7) . . ?
O8 P1 Eu1 130.81(5) . . ?
O8 P1 O1 116.68(7) . . ?
O8 P1 O5 110.20(7) . . ?
O8 P1 C28 113.26(7) . . ?
O5 P1 Eu1 114.61(5) . . ?
O5 P1 C28 104.13(7) . . ?
C28 P1 Eu1 74.41(5) . . ?
O4 P2 Eu1 133.49(5) . . ?
O4 P2 O14 117.64(7) . . ?
O4 P2 O15 111.80(7) . . ?
O4 P2 C16 112.20(7) . . ?
O14 P2 Eu1 30.87(4) . . ?
O14 P2 O15 105.41(6) . . ?
O14 P2 C16 104.35(7) . . ?
O15 P2 Eu1 110.84(4) . . ?
O15 P2 C16 104.29(7) . . ?
C16 P2 Eu1 73.58(5) . . ?
P1 O1 Eu1 130.22(6) . . ?
C1 O6 Eu1 125.51(10) . . ?
B2 O10 H10 114(2) . . ?
Eu1 O12 H12A 109.4 . . ?
Eu1 O12 H12B 113(2) . . ?
H12A O12 H12B 106.1 . . ?
P2 O14 Eu1 129.69(6) . . ?
H16C O16 H16D 104.5 . . ?
B2 O18 H18 109.5 . . ?
H9C O9 H9D 104.5 . . ?
C27 O5 P1 122.15(12) . . ?
B1 O11 H11 109.5 . . ?
C18 O3 Eu1 125.48(10) . . ?
B1 O13 H13 109.5 . . ?
H7D O7 H7E 104.5 . . ?
C25 O15 P2 121.31(11) . . ?
C1 N1 H1 116.0 . . ?
C1 N1 C30 127.96(13) . . ?
C30 N1 H1 116.0 . . ?
C8 N4 Eu1 110.36(9) . . ?
C28 N4 Eu1 107.82(9) . . ?
C28 N4 C8 108.52(12) . . ?
C5 N4 Eu1 111.87(9) . . ?
C5 N4 C8 107.44(12) . . ?
C5 N4 C28 110.81(12) . . ?
C4 N6 Eu1 110.79(9) . . ?
C4 N6 C15 108.37(12) . . ?
C16 N6 Eu1 107.41(9) . . ?
C16 N6 C4 111.23(12) . . ?
C16 N6 C15 107.52(12) . . ?
C15 N6 Eu1 111.49(9) . . ?
C18 N3 H3 115.8 . . ?
C18 N3 C19 128.45(14) . . ?
C19 N3 H3 115.8 . . ?
H2C O2 H2D 110(3) . . ?
C6 N2 Eu1 107.79(9) . . ?
C6 N2 C10 108.85(12) . . ?
C10 N2 Eu1 110.46(9) . . ?
C2 N2 Eu1 111.50(9) . . ?
C2 N2 C6 109.09(12) . . ?
C2 N2 C10 109.10(12) . . ?
C14 N5 Eu1 106.99(9) . . ?
C14 N5 C26 108.38(12) . . ?
C14 N5 C9 110.16(12) . . ?
C26 N5 Eu1 112.10(9) . . ?
C9 N5 Eu1 110.81(9) . . ?
C9 N5 C26 108.37(12) . . ?
O6 C1 Eu1 36.33(7) . . ?
O6 C1 N1 123.58(14) . . ?
O6 C1 C6 118.93(13) . . ?
N1 C1 Eu1 158.77(10) . . ?
N1 C1 C6 117.49(13) . . ?
C6 C1 Eu1 83.09(8) . . ?
N6 C4 H4A 108.6 . . ?
N6 C4 H4B 108.6 . . ?
N6 C4 C10 114.58(13) . . ?
H4A C4 H4B 107.6 . . ?
C10 C4 H4A 108.6 . . ?
C10 C4 H4B 108.6 . . ?
N2 C6 C1 109.57(12) . . ?
N2 C6 H6A 109.8 . . ?
N2 C6 H6B 109.8 . . ?
C1 C6 H6A 109.8 . . ?
C1 C6 H6B 109.8 . . ?
H6A C6 H6B 108.2 . . ?
N4 C8 H8A 109.3 . . ?
N4 C8 H8B 109.3 . . ?
N4 C8 C2 111.70(12) . . ?
H8A C8 H8B 107.9 . . ?
C2 C8 H8A 109.3 . . ?
C2 C8 H8B 109.3 . . ?
N2 C10 C4 112.74(13) . . ?
N2 C10 H10A 109.0 . . ?
N2 C10 H10B 109.0 . . ?
C4 C10 H10A 109.0 . . ?
C4 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
C24 C12 C11 118.09(14) . . ?
C24 C12 B1 122.91(14) . . ?
C11 C12 B1 118.79(14) . . ?
N5 C14 H14A 109.5 . . ?
N5 C14 H14B 109.5 . . ?
N5 C14 C18 110.83(12) . . ?
H14A C14 H14B 108.1 . . ?
C18 C14 H14A 109.5 . . ?
C18 C14 H14B 109.5 . . ?
P2 C16 H16A 108.7 . . ?
P2 C16 H16B 108.7 . . ?
N6 C16 P2 114.14(10) . . ?
N6 C16 H16A 108.7 . . ?
N6 C16 H16B 108.7 . . ?
H16A C16 H16B 107.6 . . ?
O3 C18 N3 123.87(14) . . ?
O3 C18 C14 119.58(13) . . ?
N3 C18 C14 116.53(14) . . ?
C22 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C19 C20 C22 121.17(15) . . ?
C20 C22 C17 117.66(14) . . ?
C20 C22 B2 121.05(14) . . ?
C17 C22 B2 121.27(14) . . ?
C12 C24 H24 119.5 . . ?
C12 C24 C30 120.98(14) . . ?
C30 C24 H24 119.5 . . ?
N5 C26 H26A 109.3 . . ?
N5 C26 H26B 109.3 . . ?
N5 C26 C5 111.61(12) . . ?
H26A C26 H26B 108.0 . . ?
C5 C26 H26A 109.3 . . ?
C5 C26 H26B 109.3 . . ?
P1 C28 H28A 108.9 . . ?
P1 C28 H28B 108.9 . . ?
N4 C28 P1 113.55(10) . . ?
N4 C28 H28A 108.9 . . ?
N4 C28 H28B 108.9 . . ?
H28A C28 H28B 107.7 . . ?
C24 C30 N1 116.17(13) . . ?
C21 C30 N1 123.57(14) . . ?
C21 C30 C24 120.24(14) . . ?
N6 C15 H15A 109.2 . . ?
N6 C15 H15B 109.2 . . ?
N6 C15 C9 112.05(13) . . ?
H15A C15 H15B 107.9 . . ?
C9 C15 H15A 109.2 . . ?
C9 C15 H15B 109.2 . . ?
N2 C2 C8 113.64(12) . . ?
N2 C2 H2A 108.8 . . ?
N2 C2 H2B 108.8 . . ?
C8 C2 H2A 108.8 . . ?
C8 C2 H2B 108.8 . . ?
H2A C2 H2B 107.7 . . ?
C22 C17 H17 119.3 . . ?
C3 C17 C22 121.43(14) . . ?
C3 C17 H17 119.3 . . ?
N5 C9 C15 113.29(13) . . ?
N5 C9 H9A 108.9 . . ?
N5 C9 H9B 108.9 . . ?
C15 C9 H9A 108.9 . . ?
C15 C9 H9B 108.9 . . ?
H9A C9 H9B 107.7 . . ?
C20 C19 N3 116.04(14) . . ?
C20 C19 C23 120.42(14) . . ?
C23 C19 N3 123.47(13) . . ?
N4 C5 C26 114.24(13) . . ?
N4 C5 H5A 108.7 . . ?
N4 C5 H5B 108.7 . . ?
C26 C5 H5A 108.7 . . ?
C26 C5 H5B 108.7 . . ?
H5A C5 H5B 107.6 . . ?
C30 C21 H21 120.5 . . ?
C30 C21 C13 118.93(15) . . ?
C13 C21 H21 120.5 . . ?
C12 C11 H11A 119.5 . . ?
C13 C11 C12 120.96(15) . . ?
C13 C11 H11A 119.5 . . ?
C19 C23 H23 120.7 . . ?
C3 C23 C19 118.64(14) . . ?
C3 C23 H23 120.7 . . ?
C17 C3 C23 120.65(15) . . ?
C17 C3 H3A 119.7 . . ?
C23 C3 H3A 119.7 . . ?
O11 B1 C12 125.97(15) . . ?
O13 B1 O11 118.58(15) . . ?
O13 B1 C12 115.45(15) . . ?
O15 C25 H25A 109.5 . . ?
O15 C25 H25B 109.5 . . ?
O15 C25 C7 110.59(19) . . ?
H25A C25 H25B 108.1 . . ?
C7 C25 H25A 109.5 . . ?
C7 C25 H25B 109.5 . . ?
C21 C13 H13A 119.6 . . ?
C11 C13 C21 120.80(16) . . ?
C11 C13 H13A 119.6 . . ?
O10 B2 C22 116.69(15) . . ?
O18 B2 O10 126.11(15) . . ?
O18 B2 C22 117.18(14) . . ?
O5 C27 H27A 109.5 . . ?
O5 C27 H27B 109.5 . . ?
O5 C27 C29 110.81(19) . . ?
H27A C27 H27B 108.1 . . ?
C29 C27 H27A 109.5 . . ?
C29 C27 H27B 109.5 . . ?
C25 C7 H7A 109.5 . . ?
C25 C7 H7B 109.5 . . ?
C25 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O17 O17 H17A 56.8 2_765 . ?
O17 O17 H17B 86.9 2_765 . ?
H17A O17 H17B 104.5 . . ?
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 P1 3.5220(5) . ?
Eu1 P2 3.5181(5) . ?
Eu1 O1 2.3532(11) . ?
Eu1 O6 2.3793(11) . ?
Eu1 O12 2.4601(12) . ?
Eu1 O14 2.3456(11) . ?
Eu1 O3 2.3906(11) . ?
Eu1 N4 2.7481(13) . ?
Eu1 N6 2.7238(13) . ?
Eu1 N2 2.6729(13) . ?
Eu1 N5 2.7135(14) . ?
Eu1 C1 3.2691(15) . ?
P1 O1 1.5096(11) . ?
P1 O8 1.4908(12) . ?
P1 O5 1.5953(13) . ?
P1 C28 1.8242(16) . ?
P2 O4 1.4866(12) . ?
P2 O14 1.5218(11) . ?
P2 O15 1.5863(12) . ?
P2 C16 1.8200(16) . ?
O6 C1 1.2517(18) . ?
O10 B2 1.368(2) . ?
O10 H10 0.76(3) . ?
O12 H12A 0.8502 . ?
O12 H12B 0.76(3) . ?
O16 H16C 0.8500 . ?
O16 H16D 0.8500 . ?
O18 H18 0.8400 . ?
O18 B2 1.355(2) . ?
O9 H9C 0.8495 . ?
O9 H9D 0.8501 . ?
O5 C27 1.453(2) . ?
O11 H11 0.8400 . ?
O11 B1 1.364(2) . ?
O3 C18 1.2462(19) . ?
O13 H13 0.8400 . ?
O13 B1 1.359(2) . ?
O7 H7D 0.8702 . ?
O7 H7E 0.8702 . ?
O15 C25 1.447(2) . ?
N1 H1 0.8800 . ?
N1 C1 1.3316(19) . ?
N1 C30 1.4213(19) . ?
N4 C8 1.492(2) . ?
N4 C28 1.490(2) . ?
N4 C5 1.487(2) . ?
N6 C4 1.491(2) . ?
N6 C16 1.490(2) . ?
N6 C15 1.493(2) . ?
N3 H3 0.8800 . ?
N3 C18 1.3312(19) . ?
N3 C19 1.419(2) . ?
O2 H2C 0.84(2) . ?
O2 H2D 0.81(3) . ?
N2 C6 1.484(2) . ?
N2 C10 1.4892(19) . ?
N2 C2 1.482(2) . ?
N5 C14 1.479(2) . ?
N5 C26 1.4927(19) . ?
N5 C9 1.486(2) . ?
C1 C6 1.507(2) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C10 1.517(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C2 1.517(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C12 C24 1.397(2) . ?
C12 C11 1.402(2) . ?
C12 B1 1.571(2) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C18 1.512(2) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C20 H20 0.9500 . ?
C20 C22 1.396(2) . ?
C20 C19 1.396(2) . ?
C22 C17 1.399(2) . ?
C22 B2 1.579(2) . ?
C24 H24 0.9500 . ?
C24 C30 1.397(2) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C5 1.516(2) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C30 C21 1.393(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C9 1.512(2) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C17 H17 0.9500 . ?
C17 C3 1.388(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C19 C23 1.398(2) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C21 H21 0.9500 . ?
C21 C13 1.395(2) . ?
C11 H11A 0.9500 . ?
C11 C13 1.382(2) . ?
C23 H23 0.9500 . ?
C23 C3 1.391(2) . ?
C3 H3A 0.9500 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C7 1.508(3) . ?
C13 H13A 0.9500 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C29 1.481(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
O17 O17 1.816(9) 2_765 ?
O17 H17A 0.8704 . ?
O17 H17B 0.8698 . ?
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 P1 O5 C27 -177.71(13) . . . . ?
Eu1 P1 C28 N4 -30.43(10) . . . . ?
Eu1 P2 O15 C25 -177.68(12) . . . . ?
Eu1 P2 C16 N6 -30.88(9) . . . . ?
Eu1 O6 C1 N1 -170.32(11) . . . . ?
Eu1 O6 C1 C6 10.39(19) . . . . ?
Eu1 O3 C18 N3 -171.81(11) . . . . ?
Eu1 O3 C18 C14 9.5(2) . . . . ?
Eu1 N4 C8 C2 -41.55(14) . . . . ?
Eu1 N4 C28 P1 41.05(12) . . . . ?
Eu1 N4 C5 C26 -37.55(15) . . . . ?
Eu1 N6 C4 C10 -34.63(15) . . . . ?
Eu1 N6 C16 P2 41.79(12) . . . . ?
Eu1 N6 C15 C9 -41.70(15) . . . . ?
Eu1 N2 C6 C1 38.19(13) . . . . ?
Eu1 N2 C10 C4 -47.16(14) . . . . ?
Eu1 N2 C2 C8 -44.74(15) . . . . ?
Eu1 N5 C14 C18 36.46(14) . . . . ?
Eu1 N5 C26 C5 -45.85(15) . . . . ?
Eu1 N5 C9 C15 -44.48(15) . . . . ?
Eu1 C1 C6 N2 -29.00(10) . . . . ?
P1 O5 C27 C29 83.6(2) . . . . ?
P2 O15 C25 C7 80.46(19) . . . . ?
O1 P1 O5 C27 150.60(14) . . . . ?
O1 P1 C28 N4 -30.68(13) . . . . ?
O4 P2 O14 Eu1 -129.66(8) . . . . ?
O4 P2 O15 C25 21.35(16) . . . . ?
O4 P2 C16 N6 100.02(11) . . . . ?
O6 C1 C6 N2 -35.19(18) . . . . ?
O8 P1 O1 Eu1 -125.91(8) . . . . ?
O8 P1 O5 C27 23.14(16) . . . . ?
O8 P1 C28 N4 97.78(12) . . . . ?
O14 P2 O15 C25 150.30(14) . . . . ?
O14 P2 C16 N6 -28.42(12) . . . . ?
O5 P1 O1 Eu1 110.57(9) . . . . ?
O5 P1 C28 N4 -142.49(11) . . . . ?
O15 P2 O14 Eu1 104.95(9) . . . . ?
O15 P2 C16 N6 -138.80(11) . . . . ?
N1 C1 C6 N2 145.49(13) . . . . ?
N1 C30 C21 C13 -179.40(16) . . . . ?
N4 C8 C2 N2 60.34(17) . . . . ?
N6 C4 C10 N2 57.38(18) . . . . ?
N6 C15 C9 N5 60.12(18) . . . . ?
N3 C19 C23 C3 175.39(15) . . . . ?
N5 C14 C18 O3 -33.9(2) . . . . ?
N5 C14 C18 N3 147.25(14) . . . . ?
N5 C26 C5 N4 57.66(18) . . . . ?
C1 N1 C30 C24 177.65(15) . . . . ?
C1 N1 C30 C21 -3.8(3) . . . . ?
C4 N6 C16 P2 -79.60(14) . . . . ?
C4 N6 C15 C9 80.48(16) . . . . ?
C6 N2 C10 C4 -165.33(13) . . . . ?
C6 N2 C2 C8 74.19(16) . . . . ?
C8 N4 C28 P1 160.59(10) . . . . ?
C8 N4 C5 C26 -158.82(13) . . . . ?
C10 N2 C6 C1 158.02(12) . . . . ?
C10 N2 C2 C8 -167.01(13) . . . . ?
C12 C24 C30 N1 178.75(14) . . . . ?
C12 C24 C30 C21 0.2(2) . . . . ?
C12 C11 C13 C21 0.3(3) . . . . ?
C14 N5 C26 C5 -163.70(13) . . . . ?
C14 N5 C9 C15 73.71(17) . . . . ?
C16 P2 O14 Eu1 -4.61(10) . . . . ?
C16 P2 O15 C25 -100.10(14) . . . . ?
C16 N6 C4 C10 84.77(16) . . . . ?
C16 N6 C15 C9 -159.19(13) . . . . ?
C18 N3 C19 C20 -179.14(15) . . . . ?
C18 N3 C19 C23 3.9(3) . . . . ?
C20 C22 C17 C3 -0.8(2) . . . . ?
C20 C22 B2 O10 174.62(14) . . . . ?
C20 C22 B2 O18 -4.1(2) . . . . ?
C20 C19 C23 C3 -1.4(2) . . . . ?
C22 C20 C19 N3 -175.14(14) . . . . ?
C22 C20 C19 C23 1.9(2) . . . . ?
C22 C17 C3 C23 1.3(2) . . . . ?
C24 C12 C11 C13 -1.0(3) . . . . ?
C24 C12 B1 O11 -11.5(3) . . . . ?
C24 C12 B1 O13 167.76(15) . . . . ?
C24 C30 C21 C13 -0.9(3) . . . . ?
C26 N5 C14 C18 157.53(13) . . . . ?
C26 N5 C9 C15 -167.87(13) . . . . ?
C28 P1 O1 Eu1 0.47(11) . . . . ?
C28 P1 O5 C27 -98.64(15) . . . . ?
C28 N4 C8 C2 -159.49(13) . . . . ?
C28 N4 C5 C26 82.79(15) . . . . ?
C30 N1 C1 Eu1 -16.6(4) . . . . ?
C30 N1 C1 O6 -0.6(2) . . . . ?
C30 N1 C1 C6 178.67(14) . . . . ?
C30 C21 C13 C11 0.7(3) . . . . ?
C15 N6 C4 C10 -157.24(13) . . . . ?
C15 N6 C16 P2 161.90(10) . . . . ?
C2 N2 C6 C1 -83.03(14) . . . . ?
C2 N2 C10 C4 75.73(16) . . . . ?
C17 C22 B2 O10 -6.8(2) . . . . ?
C17 C22 B2 O18 174.56(14) . . . . ?
C9 N5 C14 C18 -84.06(16) . . . . ?
C9 N5 C26 C5 76.76(16) . . . . ?
C19 N3 C18 O3 1.4(3) . . . . ?
C19 N3 C18 C14 -179.85(15) . . . . ?
C19 C20 C22 C17 -0.8(2) . . . . ?
C19 C20 C22 B2 177.89(14) . . . . ?
C19 C23 C3 C17 -0.1(2) . . . . ?
C5 N4 C8 C2 80.65(15) . . . . ?
C5 N4 C28 P1 -81.68(13) . . . . ?
C11 C12 C24 C30 0.8(2) . . . . ?
C11 C12 B1 O11 173.79(16) . . . . ?
C11 C12 B1 O13 -6.9(2) . . . . ?
B1 C12 C24 C30 -173.92(14) . . . . ?
B1 C12 C11 C13 173.92(16) . . . . ?
B2 C22 C17 C3 -179.48(14) . . . . ?
