#------------------------------------------------------------------------------
#$Date: 2015-07-16 18:05:34 +0300 (Thu, 16 Jul 2015) $
#$Revision: 152130 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/75/7117544.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_7117544
loop_
_publ_author_name
'L. H. Blair'
'A. Colakel'
'R. M. Vrcelj'
'I. Sinclair'
'S. J. Coles'
_publ_section_title
;
 Metal-organic fireworks: MOFs as integrated structural scaffolds for
 pyrotechnic materials
;
_journal_name_full               Chem.Commun.
_journal_page_first              12185
_journal_paper_doi               10.1039/C5cc04174K
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C11 H10 F4 N O6 Sr'
_chemical_formula_sum            'C11 H10 F4 N O6 Sr'
_chemical_formula_weight         415.82
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2015-01-29
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.19 svn.r3143 for OlexSys, GUI svn.r4992)
;
_audit_update_record
;
2015-01-30 deposited with the CCDC.
2015-06-23 downloaded from the CCDC.
;
_cell_angle_alpha                94.495(16)
_cell_angle_beta                 96.741(16)
_cell_angle_gamma                101.639(17)
_cell_formula_units_Z            2
_cell_length_a                   6.1469(4)
_cell_length_b                   7.0452(5)
_cell_length_c                   16.1438(11)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     676.26(10)
_computing_cell_refinement
'CrystalClear-SM Expert 3.1 b27 (Rigaku, 2013)'
_computing_data_collection
'CrystalClear-SM Expert 3.1 b27 (Rigaku, 2013)'
_computing_data_reduction
'CrystalClear-SM Expert 3.1 b27 (Rigaku, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details
;
scan:
    Number of images: 140
               Slice: -63.0000 - 77.0000
         Image width: 1.0000
            Exp time: 125.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: 0.0000
                 Phi: -30.0000
                 XTD: 40.0129
              2theta: -12.8534
scan:
    Number of images: 101
               Slice: -78.0000 - 23.0000
         Image width: 1.0000
            Exp time: 125.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: -72.0000
                 Phi: 150.0000
                 XTD: 40.0129
              2theta: -12.8534
scan:
    Number of images: 86
               Slice: -63.0000 - 23.0000
         Image width: 1.0000
            Exp time: 125.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: -72.0000
                 Phi: -60.0000
                 XTD: 40.0129
              2theta: -12.8534
scan:
    Number of images: 105
               Slice: -29.0000 - 76.0000
         Image width: 1.0000
            Exp time: 125.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: 72.0000
                 Phi: 60.0000
                 XTD: 40.0129
              2theta: -12.8534
scan:
    Number of images: 28
               Slice: -79.0000 - -51.0000
         Image width: 1.0000
            Exp time: 125.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: -18.0000
                 Phi: 150.0000
                 XTD: 40.0129
              2theta: -12.8534
scan:
    Number of images: 27
               Slice: -31.0000 - -4.0000
         Image width: 1.0000
            Exp time: 125.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: 72.0000
                 Phi: 120.0000
                 XTD: 40.0129
              2theta: -12.8534
;
_diffrn_measurement_device       'four-circle κ diffractometer'
_diffrn_measurement_device_type  'Rigaku AFC12 (Right)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroMesh'
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      -0.069242
_diffrn_orient_matrix_UB_12      -0.152664
_diffrn_orient_matrix_UB_13      0.003347
_diffrn_orient_matrix_UB_21      0.115132
_diffrn_orient_matrix_UB_22      -0.085772
_diffrn_orient_matrix_UB_23      0.024972
_diffrn_orient_matrix_UB_31      -0.008305
_diffrn_orient_matrix_UB_32      -0.004270
_diffrn_orient_matrix_UB_33      0.062022
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  'Confocal mirrors, HF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1512
_diffrn_reflns_av_unetI/netI     0.2182
_diffrn_reflns_laue_measured_fraction_full 0.991
_diffrn_reflns_laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7817
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.473
_diffrn_reflns_theta_min         3.106
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_target            Mo
_diffrn_source_type              'Rotating Anode'
_diffrn_source_voltage           45.0
_exptl_absorpt_coefficient_mu    4.067
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.468
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 2013)
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.042
_exptl_crystal_description       Needle
_exptl_crystal_F_000             410
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.294
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.194
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         3016
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.1912
_refine_ls_R_factor_gt           0.1003
_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)+(0.0996P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1915
_refine_ls_wR_factor_ref         0.2308
_reflns_Friedel_coverage         0.000
_reflns_friedel_fraction_full    .
_reflns_friedel_fraction_max     .
_reflns_number_gt                1557
_reflns_number_total             3016
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc04174k2.cif
_cod_data_source_block           sr_altfbdc_1
_cod_original_cell_volume        676.26(9)
_cod_database_code               7117544
_shelxl_version_number           2013-3
_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   0.960
_shelx_estimated_absorpt_t_min   0.854
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2.a Rotating group:
 O1W(H1WA,H1WB)
2.b Secondary CH2 refined with riding coordinates:
 C1S1(H1SA,H1SB)
2.c Idealised Me refined as rotating group:
 C2S1(H2SA,H2SB,H2SC), C3S1(H3SA,H3SB,H3SC)
;
_olex2_date_sample_data_collection 22/12/2013
_olex2_submission_original_sample_id '2013lhb042, lhb3_024_01'
_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
Sr1 Sr 0.10506(19) 0.24496(14) 0.44448(8) 0.0312(4) Uani 1 1 d . . . . .
F3 F 0.3329(11) 0.7618(9) 0.0649(4) 0.0473(19) Uani 1 1 d . . . . .
F4 F 0.6606(11) 0.9025(9) 0.1930(4) 0.0432(18) Uani 1 1 d . . . . .
F2 F -0.0901(11) 0.6084(9) 0.0947(4) 0.0450(18) Uani 1 1 d . . . . .
F1 F -0.1783(10) 0.5837(8) 0.2543(4) 0.0397(17) Uani 1 1 d . . . . .
O2 O 0.1580(12) 0.9045(9) 0.4374(5) 0.0320(19) Uani 1 1 d . . . . .
O3 O 0.7092(12) 1.0736(9) 0.3677(5) 0.0316(18) Uani 1 1 d . . . . .
O4 O 0.6448(13) 0.7787(10) 0.4160(5) 0.0354(19) Uani 1 1 d . . . . .
O1S1 O 0.1238(15) 0.2194(11) 0.2817(6) 0.046(2) Uani 1 1 d . . . . .
O1 O 0.0513(13) 0.5810(9) 0.4226(5) 0.0336(19) Uani 1 1 d . . . . .
O1W O 0.5069(14) 0.3822(10) 0.4205(6) 0.044(2) Uani 1 1 d . . . . .
H1WA H 0.5592 0.2912 0.3944 0.066 Uiso 1 1 d GR . . . .
H1WB H 0.5906 0.4223 0.4689 0.066 Uiso 1 1 d GR . . . .
N1S1 N 0.2408(17) 0.2370(13) 0.1520(7) 0.038(2) Uani 1 1 d . . . . .
C5 C 0.291(2) 0.7559(15) 0.1452(8) 0.033(3) Uani 1 1 d . . . . .
C2 C 0.196(2) 0.7390(14) 0.3095(8) 0.033(3) Uani 1 1 d . . . . .
C7 C 0.4164(19) 0.8230(13) 0.2928(8) 0.032(3) Uani 1 1 d . . . . .
C6 C 0.4554(19) 0.8287(15) 0.2119(8) 0.032(3) Uani 1 1 d . . . . .
C3 C 0.0340(19) 0.6635(14) 0.2421(8) 0.031(3) Uani 1 1 d . . . . .
C4 C 0.074(2) 0.6759(14) 0.1602(8) 0.034(3) Uani 1 1 d . . . . .
C2S1 C 0.021(2) 0.1709(18) 0.1058(9) 0.047(3) Uani 1 1 d . . . . .
H2SA H 0.0069 0.0388 0.0787 0.070 Uiso 1 1 calc GR . . . .
H2SB H -0.0027 0.2586 0.0630 0.070 Uiso 1 1 calc GR . . . .
H2SC H -0.0915 0.1701 0.1441 0.070 Uiso 1 1 calc GR . . . .
C1S1 C 0.274(2) 0.2542(15) 0.2338(8) 0.043(3) Uani 1 1 d . . . . .
H1SA H 0.3813 0.1714 0.2493 0.051 Uiso 1 1 calc R . . . .
H1SB H 0.3546 0.3905 0.2512 0.051 Uiso 1 1 calc R . . . .
C3S1 C 0.426(2) 0.277(2) 0.1044(10) 0.053(4) Uani 1 1 d . . . . .
H3SA H 0.5641 0.3320 0.1426 0.079 Uiso 1 1 calc GR . . . .
H3SB H 0.3981 0.3709 0.0647 0.079 Uiso 1 1 calc GR . . . .
H3SC H 0.4404 0.1562 0.0735 0.079 Uiso 1 1 calc GR . . . .
C1 C 0.1349(17) 0.7380(14) 0.3965(8) 0.030(3) Uani 1 1 d . . . . .
C8 C 0.6064(19) 0.8980(13) 0.3661(8) 0.032(3) Uani 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'
F F 0.0171 0.0103 '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'
Sr Sr -1.5307 3.2498 '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
Sr1 Sr1 H1WA 119.3 2_566 .
Sr1 Sr1 H1WB 96.0 2_566 .
O2 Sr1 Sr1 76.41(14) 2_566 2_566
O2 Sr1 Sr1 154.64(18) 1_545 2_566
O2 Sr1 O2 78.9(2) 1_545 2_566
O2 Sr1 O3 81.8(2) 1_545 1_445
O2 Sr1 O4 74.3(2) 1_545 2_666
O2 Sr1 O1S1 86.1(3) 1_545 .
O2 Sr1 O1 169.3(3) 1_545 .
O2 Sr1 O1 123.1(2) 1_545 2_566
O2 Sr1 O1W 93.2(2) 1_545 .
O2 Sr1 H1WA 78.5 1_545 .
O2 Sr1 H1WA 143.4 2_566 .
O2 Sr1 H1WB 128.3 2_566 .
O2 Sr1 H1WB 94.7 1_545 .
O3 Sr1 Sr1 95.66(16) 1_445 2_566
O3 Sr1 O2 71.3(2) 1_445 2_566
O3 Sr1 O4 137.0(2) 1_445 2_666
O3 Sr1 O1S1 71.9(2) 1_445 .
O3 Sr1 O1 95.1(2) 1_445 2_566
O3 Sr1 H1WA 132.5 1_445 .
O3 Sr1 H1WB 159.2 1_445 .
O4 Sr1 Sr1 91.48(17) 2_666 2_566
O4 Sr1 O2 69.4(2) 2_666 2_566
O4 Sr1 O1S1 139.2(3) 2_666 .
O4 Sr1 O1 70.3(2) 2_666 2_566
O4 Sr1 H1WA 76.9 2_666 .
O4 Sr1 H1WB 59.7 2_666 .
O1S1 Sr1 Sr1 117.26(18) . 2_566
O1S1 Sr1 O2 141.8(2) . 2_566
O1S1 Sr1 O1 146.8(3) . 2_566
O1S1 Sr1 H1WA 64.1 . .
O1S1 Sr1 H1WB 87.5 . .
O1 Sr1 Sr1 31.71(15) 2_566 2_566
O1 Sr1 Sr1 35.34(17) . 2_566
O1 Sr1 O2 47.49(19) 2_566 2_566
O1 Sr1 O2 109.4(2) . 2_566
O1 Sr1 O3 94.3(2) . 1_445
O1 Sr1 O4 114.5(2) . 2_666
O1 Sr1 O1S1 83.2(2) . .
O1 Sr1 O1 67.1(3) . 2_566
O1 Sr1 O1W 83.9(2) . .
O1 Sr1 H1WA 97.2 . .
O1 Sr1 H1WA 131.7 2_566 .
O1 Sr1 H1WB 103.8 2_566 .
O1 Sr1 H1WB 85.4 . .
O1W Sr1 Sr1 103.20(17) . 2_566
O1W Sr1 O2 143.8(3) . 2_566
O1W Sr1 O3 143.1(3) . 1_445
O1W Sr1 O4 74.4(3) . 2_666
O1W Sr1 O1S1 71.3(3) . .
O1W Sr1 O1 117.4(2) . 2_566
O1W Sr1 H1WA 16.2 . .
O1W Sr1 H1WB 16.2 . .
H1WA Sr1 H1WB 27.9 . .
Sr1 O2 Sr1 101.1(2) 1_565 2_566
C1 O2 Sr1 92.9(6) . 2_566
C1 O2 Sr1 150.1(7) . 1_565
C8 O3 Sr1 129.0(8) . 1_665
C8 O4 Sr1 141.2(7) . 2_666
C1S1 O1S1 Sr1 137.2(9) . .
Sr1 O1 Sr1 112.9(3) . 2_566
C1 O1 Sr1 94.6(6) . 2_566
C1 O1 Sr1 144.4(7) . .
Sr1 O1W H1WA 109.5 . .
Sr1 O1W H1WB 109.6 . .
H1WA O1W H1WB 109.2 . .
C2S1 N1S1 C3S1 117.2(11) . .
C1S1 N1S1 C2S1 121.6(10) . .
C1S1 N1S1 C3S1 121.1(11) . .
F3 C5 C6 121.8(10) . .
F3 C5 C4 118.8(11) . .
C6 C5 C4 119.4(10) . .
C7 C2 C1 122.4(10) . .
C3 C2 C7 118.1(11) . .
C3 C2 C1 119.5(10) . .
C2 C7 C8 119.8(10) . .
C6 C7 C2 118.9(11) . .
C6 C7 C8 121.2(10) . .
F4 C6 C5 116.4(10) . .
F4 C6 C7 121.1(11) . .
C7 C6 C5 122.5(10) . .
F1 C3 C2 120.5(10) . .
F1 C3 C4 117.0(10) . .
C4 C3 C2 122.3(10) . .
F2 C4 C5 119.8(11) . .
F2 C4 C3 121.5(10) . .
C3 C4 C5 118.7(11) . .
N1S1 C2S1 H2SA 109.5 . .
N1S1 C2S1 H2SB 109.5 . .
N1S1 C2S1 H2SC 109.5 . .
H2SA C2S1 H2SB 109.5 . .
H2SA C2S1 H2SC 109.5 . .
H2SB C2S1 H2SC 109.5 . .
O1S1 C1S1 N1S1 126.3(13) . .
O1S1 C1S1 H1SA 105.7 . .
O1S1 C1S1 H1SB 105.7 . .
N1S1 C1S1 H1SA 105.7 . .
N1S1 C1S1 H1SB 105.7 . .
H1SA C1S1 H1SB 106.2 . .
N1S1 C3S1 H3SA 109.5 . .
N1S1 C3S1 H3SB 109.5 . .
N1S1 C3S1 H3SC 109.5 . .
H3SA C3S1 H3SB 109.5 . .
H3SA C3S1 H3SC 109.5 . .
H3SB C3S1 H3SC 109.5 . .
O2 C1 Sr1 63.0(5) . 2_566
O2 C1 C2 115.9(9) . .
O1 C1 Sr1 61.8(6) . 2_566
O1 C1 O2 123.9(10) . .
O1 C1 C2 120.0(9) . .
C2 C1 Sr1 165.6(8) . 2_566
O3 C8 C7 115.9(10) . .
O4 C8 O3 127.4(11) . .
O4 C8 C7 116.6(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sr1 Sr1 4.382(2) 2_566
Sr1 O2 2.480(7) 1_545
Sr1 O2 2.777(7) 2_566
Sr1 O3 2.605(7) 1_445
Sr1 O4 2.611(8) 2_666
Sr1 O1S1 2.637(9) .
Sr1 O1 2.752(8) 2_566
Sr1 O1 2.501(7) .
Sr1 O1W 2.550(8) .
Sr1 H1WA 2.9593 .
Sr1 H1WB 2.9606 .
F3 C5 1.353(13) .
F4 C6 1.344(12) .
F2 C4 1.358(13) .
F1 C3 1.357(12) .
O2 Sr1 2.480(7) 1_565
O2 Sr1 2.777(7) 2_566
O2 C1 1.274(12) .
O3 Sr1 2.605(7) 1_665
O3 C8 1.268(11) .
O4 Sr1 2.611(8) 2_666
O4 C8 1.245(13) .
O1S1 C1S1 1.270(14) .
O1 Sr1 2.752(8) 2_566
O1 C1 1.249(12) .
O1W H1WA 0.8748 .
O1W H1WB 0.8750 .
N1S1 C2S1 1.433(16) .
N1S1 C1S1 1.305(16) .
N1S1 C3S1 1.439(15) .
C5 C6 1.376(17) .
C5 C4 1.394(15) .
C2 C7 1.428(15) .
C2 C3 1.379(16) .
C2 C1 1.497(16) .
C7 C6 1.357(16) .
C7 C8 1.541(17) .
C3 C4 1.379(16) .
C2S1 H2SA 0.9800 .
C2S1 H2SB 0.9800 .
C2S1 H2SC 0.9800 .
C1S1 H1SA 0.9900 .
C1S1 H1SB 0.9900 .
C3S1 H3SA 0.9800 .
C3S1 H3SB 0.9800 .
C3S1 H3SC 0.9800 .
C1 Sr1 3.113(11) 2_566
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
O1W H1WA O3 0.87 1.99 2.837(11) 163.9 1_545
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
Sr1 O2 C1 Sr1 -118.4(12) 1_565 . . 2_566
Sr1 O2 C1 O1 -129.2(12) 1_565 . . .
Sr1 O2 C1 O1 -10.8(11) 2_566 . . .
Sr1 O2 C1 C2 164.0(8) 2_566 . . .
Sr1 O2 C1 C2 45.6(17) 1_565 . . .
Sr1 O3 C8 O4 18.8(16) 1_665 . . .
Sr1 O3 C8 C7 -159.5(7) 1_665 . . .
Sr1 O4 C8 O3 5.7(19) 2_666 . . .
Sr1 O4 C8 C7 -176.1(7) 2_666 . . .
Sr1 O1S1 C1S1 N1S1 -176.9(8) . . . .
Sr1 O1 C1 Sr1 -141.7(12) . . . 2_566
Sr1 O1 C1 O2 -130.7(10) . . . .
Sr1 O1 C1 O2 10.9(11) 2_566 . . .
Sr1 O1 C1 C2 54.7(17) . . . .
Sr1 O1 C1 C2 -163.7(9) 2_566 . . .
F3 C5 C6 F4 -1.2(15) . . . .
F3 C5 C6 C7 -179.6(9) . . . .
F3 C5 C4 F2 -1.0(15) . . . .
F3 C5 C4 C3 177.6(9) . . . .
F1 C3 C4 F2 -1.0(15) . . . .
F1 C3 C4 C5 -179.6(9) . . . .
C2 C7 C6 F4 -178.6(8) . . . .
C2 C7 C6 C5 -0.3(15) . . . .
C2 C7 C8 O3 -125.2(10) . . . .
C2 C7 C8 O4 56.4(13) . . . .
C2 C3 C4 F2 -177.0(9) . . . .
C2 C3 C4 C5 4.4(16) . . . .
C7 C2 C3 F1 -179.4(8) . . . .
C7 C2 C3 C4 -3.5(15) . . . .
C7 C2 C1 Sr1 142(2) . . . 2_566
C7 C2 C1 O2 60.0(14) . . . .
C7 C2 C1 O1 -125.0(11) . . . .
C6 C5 C4 F2 178.3(9) . . . .
C6 C5 C4 C3 -3.1(16) . . . .
C6 C7 C8 O3 57.1(13) . . . .
C6 C7 C8 O4 -121.3(11) . . . .
C3 C2 C7 C6 1.4(14) . . . .
C3 C2 C7 C8 -176.4(9) . . . .
C3 C2 C1 Sr1 -36(3) . . . 2_566
C3 C2 C1 O2 -117.4(11) . . . .
C3 C2 C1 O1 57.6(14) . . . .
C4 C5 C6 F4 179.6(9) . . . .
C4 C5 C6 C7 1.1(16) . . . .
C2S1 N1S1 C1S1 O1S1 -1.0(18) . . . .
C3S1 N1S1 C1S1 O1S1 -178.7(11) . . . .
C1 C2 C7 C6 -176.1(9) . . . .
C1 C2 C7 C8 6.2(14) . . . .
C1 C2 C3 F1 -1.9(14) . . . .
C1 C2 C3 C4 174.0(10) . . . .
C8 C7 C6 F4 -0.9(15) . . . .
C8 C7 C6 C5 177.4(9) . . . .
