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#$Date: 2025-10-06 11:25:04 +0300 (Mon, 06 Oct 2025) $
#$Revision: 302569 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/25/06/7250620.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_7250620
loop_
_publ_author_name
'Teixeira, Michaël'
'Baudron, Stéphane A.'
_publ_section_title
;
 Impact of ligand functionalization on the structure of strontium MOFs
 prepared in a deep eutectic solvent
;
_journal_issue                   32
_journal_name_full               CrystEngComm
_journal_page_first              5421
_journal_page_last               5430
_journal_paper_doi               10.1039/D5CE00497G
_journal_volume                  27
_journal_year                    2025
_chemical_formula_moiety         'C14 H14 Br2 N4 O6 Sr'
_chemical_formula_sum            'C14 H14 Br2 N4 O6 Sr'
_chemical_formula_weight         581.73
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2025-05-12 deposited with the CCDC.	2025-07-03 downloaded from the CCDC.
;
_cell_angle_alpha                93.1060(10)
_cell_angle_beta                 90.1830(10)
_cell_angle_gamma                100.0560(10)
_cell_formula_units_Z            2
_cell_length_a                   8.3624(3)
_cell_length_b                   10.0318(4)
_cell_length_c                   11.0092(4)
_cell_measurement_reflns_used    9901
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.98
_cell_measurement_theta_min      2.70
_cell_volume                     907.96(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX4'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker PHOTON-III CPAD'
_diffrn_measurement_method       'φ and ω shuterless scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_unetI/netI     0.0275
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            41117
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.036
_diffrn_reflns_theta_min         2.065
_diffrn_source                   'Mo-ImuS 3.0 microfocus tube'
_exptl_absorpt_coefficient_mu    7.411
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6291
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.128
_exptl_crystal_description       prism
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.625
_refine_diff_density_min         -0.619
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     260
_refine_ls_number_reflns         5321
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0340
_refine_ls_R_factor_gt           0.0248
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0233P)²+0.9125P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0539
_refine_ls_wR_factor_ref         0.0575
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4583
_reflns_number_total             5321
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5ce00497g2.cif
_cod_data_source_block           SrMOF2
_cod_depositor_comments
'Adding full bibliography for 7250617--7250624.cif.'
_cod_database_code               7250620
_shelx_shelxl_version_number     2014/7
_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_min   0.524
_shelx_estimated_absorpt_t_max   0.665
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
C1 C -0.0146(3) 0.4178(2) 0.2536(2) 0.0143(4) Uani 1 1 d . . . . .
C2 C -0.1140(3) 0.3502(3) 0.0594(2) 0.0197(5) Uani 1 1 d . . . . .
H2A H -0.1000 0.3948 -0.0188 0.024 Uiso 1 1 calc R U . . .
H2B H -0.2181 0.2856 0.0572 0.024 Uiso 1 1 calc R U . . .
C3 C 0.0301(3) 0.2788(3) 0.0866(2) 0.0283(6) Uani 1 1 d . . . . .
H3A H -0.0008 0.1791 0.0742 0.034 Uiso 1 1 calc R U . . .
H3B H 0.1242 0.3106 0.0349 0.034 Uiso 1 1 calc R U . . .
C4 C 0.1331(3) 0.8013(2) 0.3976(2) 0.0154(4) Uani 1 1 d . . . . .
C5 C 0.1610(3) 0.9198(3) 0.2217(2) 0.0231(5) Uani 1 1 d . . . . .
H5A H 0.1424 0.8949 0.1339 0.028 Uiso 1 1 calc R U . . .
H5B H 0.2457 1.0021 0.2320 0.028 Uiso 1 1 calc R U . . .
C6 C 0.0028(3) 0.9398(3) 0.2856(2) 0.0226(5) Uani 1 1 d . . . . .
H6A H -0.0080 1.0366 0.2925 0.027 Uiso 1 1 calc R U . . .
H6B H -0.0937 0.8867 0.2425 0.027 Uiso 1 1 calc R U . . .
C7 C 0.5555(3) 1.0591(2) 0.39502(19) 0.0119(4) Uani 1 1 d . . . . .
C8 C 0.6076(3) 0.9422(2) 0.4275(2) 0.0124(4) Uani 1 1 d . . . . .
H8 H 0.6809 0.9033 0.3767 0.015 Uiso 1 1 calc R U . . .
C9 C 0.5533(2) 0.8808(2) 0.5341(2) 0.0112(4) Uani 1 1 d . . . . .
C10 C 0.6151(3) 0.7533(2) 0.56509(19) 0.0117(4) Uani 1 1 d . . . . .
C11 C 0.4672(3) 0.3642(2) -0.0336(2) 0.0122(4) Uani 1 1 d . . . . .
C12 C 0.4794(3) 0.4055(2) 0.0890(2) 0.0131(4) Uani 1 1 d . . . . .
H12 H 0.4650 0.3400 0.1490 0.016 Uiso 1 1 calc R U . . .
C13 C 0.5130(2) 0.5434(2) 0.12387(19) 0.0112(4) Uani 1 1 d . . . . .
C14 C 0.5303(3) 0.5847(2) 0.25862(19) 0.0123(4) Uani 1 1 d . . . . .
O1 O -0.00414(19) 0.47297(17) 0.35854(14) 0.0153(3) Uani 1 1 d . . . . .
O2 O 0.1624(2) 0.73022(17) 0.47993(15) 0.0193(3) Uani 1 1 d . . . . .
O3 O 0.51500(18) 0.64735(15) 0.58039(14) 0.0135(3) Uani 1 1 d . . . . .
O4 O 0.76705(19) 0.75968(16) 0.57020(15) 0.0156(3) Uani 1 1 d . . . . .
O5 O 0.66917(19) 0.59161(17) 0.30422(14) 0.0155(3) Uani 1 1 d . . . . .
O6 O 0.40361(19) 0.60479(17) 0.31155(14) 0.0160(3) Uani 1 1 d . . . . .
Br1 Br 0.63382(3) 1.13427(2) 0.24776(2) 0.01641(6) Uani 1 1 d . . . . .
Br2 Br 0.42673(3) 0.17551(2) -0.07870(2) 0.01810(6) Uani 1 1 d . . . . .
Sr1 Sr 0.25201(2) 0.50791(2) 0.49735(2) 0.00981(5) Uani 1 1 d . . . . .
N1 N -0.1066(2) 0.4495(2) 0.16187(18) 0.0183(4) Uani 1 1 d . . . . .
N2 N 0.0657(3) 0.3188(2) 0.2136(2) 0.0212(4) Uani 1 1 d . . . . .
N3 N 0.2035(3) 0.8088(2) 0.2865(2) 0.0230(5) Uani 1 1 d . . . . .
N4 N 0.0255(3) 0.8884(2) 0.40407(19) 0.0182(4) Uani 1 1 d . . . . .
H1N H -0.181(5) 0.503(4) 0.177(3) 0.046(10) Uiso 1 1 d . . . . .
H2N H 0.128(4) 0.291(4) 0.262(3) 0.040(10) Uiso 1 1 d . . . . .
H3N H 0.283(4) 0.783(4) 0.274(3) 0.038(10) Uiso 1 1 d . . . . .
H4N H -0.045(4) 0.873(3) 0.455(3) 0.035(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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 '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'
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
O1 C1 N2 125.4(2) . . ?
O1 C1 N1 125.2(2) . . ?
N2 C1 N1 109.4(2) . . ?
N1 C2 C3 102.35(19) . . ?
N1 C2 H2A 111.3 . . ?
C3 C2 H2A 111.3 . . ?
N1 C2 H2B 111.3 . . ?
C3 C2 H2B 111.3 . . ?
H2A C2 H2B 109.2 . . ?
N2 C3 C2 102.5(2) . . ?
N2 C3 H3A 111.3 . . ?
C2 C3 H3A 111.3 . . ?
N2 C3 H3B 111.3 . . ?
C2 C3 H3B 111.3 . . ?
H3A C3 H3B 109.2 . . ?
O2 C4 N4 125.2(2) . . ?
O2 C4 N3 126.6(2) . . ?
N4 C4 N3 108.1(2) . . ?
N3 C5 C6 101.0(2) . . ?
N3 C5 H5A 111.6 . . ?
C6 C5 H5A 111.6 . . ?
N3 C5 H5B 111.6 . . ?
C6 C5 H5B 111.6 . . ?
H5A C5 H5B 109.4 . . ?
N4 C6 C5 101.58(19) . . ?
N4 C6 H6A 111.5 . . ?
C5 C6 H6A 111.5 . . ?
N4 C6 H6B 111.5 . . ?
C5 C6 H6B 111.5 . . ?
H6A C6 H6B 109.3 . . ?
C8 C7 C9 121.9(2) . 2_676 ?
C8 C7 Br1 117.65(16) . . ?
C9 C7 Br1 120.47(16) 2_676 . ?
C7 C8 C9 120.6(2) . . ?
C7 C8 H8 119.7 . . ?
C9 C8 H8 119.7 . . ?
C7 C9 C8 117.53(19) 2_676 . ?
C7 C9 C10 124.29(19) 2_676 . ?
C8 C9 C10 118.18(19) . . ?
O3 C10 O4 123.63(19) . . ?
O3 C10 C9 119.17(19) . . ?
O4 C10 C9 117.16(19) . . ?
O3 C10 Sr1 66.29(11) . 2_666 ?
O4 C10 Sr1 62.49(11) . 2_666 ?
C9 C10 Sr1 154.03(14) . 2_666 ?
C13 C11 C12 121.8(2) 2_665 . ?
C13 C11 Br2 119.18(16) 2_665 . ?
C12 C11 Br2 119.02(16) . . ?
C11 C12 C13 119.88(19) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C11 C13 C12 118.33(19) 2_665 . ?
C11 C13 C14 123.24(19) 2_665 . ?
C12 C13 C14 118.41(19) . . ?
O6 C14 O5 127.7(2) . . ?
O6 C14 C13 116.28(19) . . ?
O5 C14 C13 115.97(19) . . ?
C1 O1 Sr1 125.06(14) . . ?
C1 O1 Sr1 125.18(14) . 2_566 ?
Sr1 O1 Sr1 106.47(5) . 2_566 ?
C4 O2 Sr1 137.16(15) . . ?
C10 O3 Sr1 142.67(14) . . ?
C10 O3 Sr1 89.60(13) . 2_666 ?
Sr1 O3 Sr1 102.92(5) . 2_666 ?
C10 O4 Sr1 93.24(13) . 2_666 ?
C14 O5 Sr1 128.15(14) . 2_666 ?
C14 O6 Sr1 133.94(14) . . ?
O2 Sr1 O3 85.17(5) . . ?
O2 Sr1 O6 76.41(5) . . ?
O3 Sr1 O6 74.65(5) . . ?
O2 Sr1 O5 126.20(5) . 2_666 ?
O3 Sr1 O5 70.88(5) . 2_666 ?
O6 Sr1 O5 135.72(5) . 2_666 ?
O2 Sr1 O1 71.17(5) . . ?
O3 Sr1 O1 152.09(5) . . ?
O6 Sr1 O1 85.28(5) . . ?
O5 Sr1 O1 135.38(5) 2_666 . ?
O2 Sr1 O1 69.33(5) . 2_566 ?
O3 Sr1 O1 112.35(5) . 2_566 ?
O6 Sr1 O1 143.94(5) . 2_566 ?
O5 Sr1 O1 76.43(5) 2_666 2_566 ?
O1 Sr1 O1 73.52(6) . 2_566 ?
O2 Sr1 O4 151.38(5) . 2_666 ?
O3 Sr1 O4 120.72(5) . 2_666 ?
O6 Sr1 O4 97.63(5) . 2_666 ?
O5 Sr1 O4 77.58(5) 2_666 2_666 ?
O1 Sr1 O4 80.51(5) . 2_666 ?
O1 Sr1 O4 106.94(5) 2_566 2_666 ?
O2 Sr1 O3 143.86(5) . 2_666 ?
O3 Sr1 O3 77.08(5) . 2_666 ?
O6 Sr1 O3 68.68(5) . 2_666 ?
O5 Sr1 O3 77.12(5) 2_666 2_666 ?
O1 Sr1 O3 113.72(5) . 2_666 ?
O1 Sr1 O3 146.69(5) 2_566 2_666 ?
O4 Sr1 O3 47.21(4) 2_666 2_666 ?
O2 Sr1 C10 162.10(6) . 2_666 ?
O3 Sr1 C10 96.89(5) . 2_666 ?
O6 Sr1 C10 86.96(5) . 2_666 ?
O5 Sr1 C10 70.75(5) 2_666 2_666 ?
O1 Sr1 C10 101.28(5) . 2_666 ?
O1 Sr1 C10 125.13(6) 2_566 2_666 ?
O4 Sr1 C10 24.27(5) 2_666 2_666 ?
O3 Sr1 C10 24.10(5) 2_666 2_666 ?
O2 Sr1 Sr1 119.45(4) . 2_666 ?
O3 Sr1 Sr1 40.90(3) . 2_666 ?
O6 Sr1 Sr1 66.14(4) . 2_666 ?
O5 Sr1 Sr1 69.63(4) 2_666 2_666 ?
O1 Sr1 Sr1 143.65(4) . 2_666 ?
O1 Sr1 Sr1 142.35(3) 2_566 2_666 ?
O4 Sr1 Sr1 81.54(3) 2_666 2_666 ?
O3 Sr1 Sr1 36.17(3) 2_666 2_666 ?
C10 Sr1 Sr1 57.28(4) 2_666 2_666 ?
O2 Sr1 Sr1 65.05(4) . 2_566 ?
O3 Sr1 Sr1 141.79(4) . 2_566 ?
O6 Sr1 Sr1 117.30(4) . 2_566 ?
O5 Sr1 Sr1 106.97(4) 2_666 2_566 ?
O1 Sr1 Sr1 37.19(3) . 2_566 ?
O1 Sr1 Sr1 36.34(3) 2_566 2_566 ?
O4 Sr1 Sr1 94.69(3) 2_666 2_566 ?
O3 Sr1 Sr1 140.84(3) 2_666 2_566 ?
C10 Sr1 Sr1 118.92(4) 2_666 2_566 ?
Sr1 Sr1 Sr1 175.349(10) 2_666 2_566 ?
C1 N1 C2 110.82(19) . . ?
C1 N1 H1N 120(2) . . ?
C2 N1 H1N 125(2) . . ?
C1 N2 C3 111.9(2) . . ?
C1 N2 H2N 119(2) . . ?
C3 N2 H2N 129(2) . . ?
C4 N3 C5 111.2(2) . . ?
C4 N3 H3N 121(3) . . ?
C5 N3 H3N 122(3) . . ?
C4 N4 C6 110.6(2) . . ?
C4 N4 H4N 116(2) . . ?
C6 N4 H4N 125(2) . . ?
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
C1 O1 1.250(3) . ?
C1 N2 1.348(3) . ?
C1 N1 1.352(3) . ?
C2 N1 1.458(3) . ?
C2 C3 1.541(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 N2 1.449(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 O2 1.233(3) . ?
C4 N4 1.359(3) . ?
C4 N3 1.360(3) . ?
C5 N3 1.448(3) . ?
C5 C6 1.539(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 N4 1.452(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.385(3) . ?
C7 C9 1.395(3) 2_676 ?
C7 Br1 1.895(2) . ?
C8 C9 1.396(3) . ?
C8 H8 0.9500 . ?
C9 C7 1.395(3) 2_676 ?
C9 C10 1.515(3) . ?
C10 O3 1.252(3) . ?
C10 O4 1.262(3) . ?
C10 Sr1 3.066(2) 2_666 ?
C11 C13 1.387(3) 2_665 ?
C11 C12 1.388(3) . ?
C11 Br2 1.902(2) . ?
C12 C13 1.394(3) . ?
C12 H12 0.9500 . ?
C13 C11 1.387(3) 2_665 ?
C13 C14 1.518(3) . ?
C14 O6 1.252(3) . ?
C14 O5 1.253(3) . ?
O1 Sr1 2.5895(15) . ?
O1 Sr1 2.6414(16) 2_566 ?
O2 Sr1 2.4902(16) . ?
O3 Sr1 2.5304(15) . ?
O3 Sr1 2.8073(15) 2_666 ?
O4 Sr1 2.7237(16) 2_666 ?
O5 Sr1 2.5808(16) 2_666 ?
O6 Sr1 2.5570(16) . ?
Sr1 O5 2.5808(16) 2_666 ?
Sr1 O1 2.6413(16) 2_566 ?
Sr1 O4 2.7237(16) 2_666 ?
Sr1 O3 2.8073(15) 2_666 ?
Sr1 C10 3.066(2) 2_666 ?
Sr1 Sr1 4.1786(4) 2_666 ?
Sr1 Sr1 4.1907(4) 2_566 ?
N1 H1N 0.90(4) . ?
N2 H2N 0.84(4) . ?
N3 H3N 0.77(4) . ?
N4 H4N 0.82(3) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1N O5 0.90(4) 2.14(4) 2.952(3) 149(3) 1_455
N2 H2N O4 0.84(4) 2.16(4) 2.968(3) 161(3) 2_666
N3 H3N O6 0.77(4) 2.25(4) 2.884(3) 141(3) .
N4 H4N O4 0.82(3) 2.21(3) 2.998(3) 160(3) 1_455
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
N1 C2 C3 N2 16.0(3) . . . . ?
N3 C5 C6 N4 26.0(3) . . . . ?
C9 C7 C8 C9 -0.6(4) 2_676 . . . ?
Br1 C7 C8 C9 -179.33(16) . . . . ?
C7 C8 C9 C7 0.6(3) . . . 2_676 ?
C7 C8 C9 C10 -179.7(2) . . . . ?
C7 C9 C10 O3 56.6(3) 2_676 . . . ?
C8 C9 C10 O3 -123.0(2) . . . . ?
C7 C9 C10 O4 -125.5(2) 2_676 . . . ?
C8 C9 C10 O4 54.8(3) . . . . ?
C7 C9 C10 Sr1 152.1(3) 2_676 . . 2_666 ?
C8 C9 C10 Sr1 -27.6(4) . . . 2_666 ?
C13 C11 C12 C13 -0.2(4) 2_665 . . . ?
Br2 C11 C12 C13 178.44(15) . . . . ?
C11 C12 C13 C11 0.2(3) . . . 2_665 ?
C11 C12 C13 C14 -178.3(2) . . . . ?
C11 C13 C14 O6 90.1(3) 2_665 . . . ?
C12 C13 C14 O6 -91.5(2) . . . . ?
C11 C13 C14 O5 -91.5(3) 2_665 . . . ?
C12 C13 C14 O5 86.9(2) . . . . ?
N2 C1 O1 Sr1 30.8(3) . . . . ?
N1 C1 O1 Sr1 -148.09(18) . . . . ?
N2 C1 O1 Sr1 -125.9(2) . . . 2_566 ?
N1 C1 O1 Sr1 55.2(3) . . . 2_566 ?
N4 C4 O2 Sr1 150.96(18) . . . . ?
N3 C4 O2 Sr1 -30.4(4) . . . . ?
O4 C10 O3 Sr1 -137.20(19) . . . . ?
C9 C10 O3 Sr1 40.5(3) . . . . ?
Sr1 C10 O3 Sr1 -111.1(2) 2_666 . . . ?
O4 C10 O3 Sr1 -26.1(2) . . . 2_666 ?
C9 C10 O3 Sr1 151.57(17) . . . 2_666 ?
O3 C10 O4 Sr1 27.0(2) . . . 2_666 ?
C9 C10 O4 Sr1 -150.70(16) . . . 2_666 ?
O6 C14 O5 Sr1 45.8(3) . . . 2_666 ?
C13 C14 O5 Sr1 -132.37(16) . . . 2_666 ?
O5 C14 O6 Sr1 -54.0(3) . . . . ?
C13 C14 O6 Sr1 124.20(18) . . . . ?
O1 C1 N1 C2 -169.7(2) . . . . ?
N2 C1 N1 C2 11.2(3) . . . . ?
C3 C2 N1 C1 -17.2(3) . . . . ?
O1 C1 N2 C3 -178.6(2) . . . . ?
N1 C1 N2 C3 0.5(3) . . . . ?
C2 C3 N2 C1 -10.9(3) . . . . ?
O2 C4 N3 C5 -169.7(2) . . . . ?
N4 C4 N3 C5 9.1(3) . . . . ?
C6 C5 N3 C4 -22.5(3) . . . . ?
O2 C4 N4 C6 -171.2(2) . . . . ?
N3 C4 N4 C6 9.9(3) . . . . ?
C5 C6 N4 C4 -23.1(3) . . . . ?
