#------------------------------------------------------------------------------
#$Date: 2019-11-08 00:21:23 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224234 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/98/7049867.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_7049867
loop_
_publ_author_name
'Fischer, Christian A.'
'Rösch, Andreas'
'Elsen, Holger'
'Ballmann, Gerd'
'Wiesinger, Michael'
'Langer, Jens'
'Färber, Christian'
'Harder, Sjoerd'
_publ_section_title
;
 Lewis acidic alkaline earth metal complexes with a perfluorinated
 diphenylamide ligand.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6757
_journal_page_last               6766
_journal_paper_doi               10.1039/c9dt01272a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         '0.25(C144 H144 F80 N16 Si16 Sr8), 2(C6 H6)'
_chemical_formula_sum            'C48 H48 F20 N4 Si4 Sr2'
_chemical_formula_weight         1348.50
_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   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2018-12-12
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-03-25 deposited with the CCDC.    2019-04-25 downloaded from the CCDC.
;
_cell_angle_alpha                99.6880(10)
_cell_angle_beta                 99.7680(10)
_cell_angle_gamma                102.2650(10)
_cell_formula_units_Z            4
_cell_length_a                   12.5188(2)
_cell_length_b                   20.5028(3)
_cell_length_c                   23.2272(2)
_cell_measurement_reflns_used    43497
_cell_measurement_temperature    100
_cell_measurement_theta_max      72.7100
_cell_measurement_theta_min      3.7630
_cell_volume                     5610.49(14)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 5.2903
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -69.00   32.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.1471   57.0000  -90.0000 101

#__ type_ start__ end____ width___ exp.time_
  2 omega  -66.00   33.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.1471   38.0000  150.0000 99

#__ type_ start__ end____ width___ exp.time_
  3 omega -115.00  -17.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.1471  -38.0000  -30.0000 98

#__ type_ start__ end____ width___ exp.time_
  4 omega   23.00   97.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       41.1471 -125.0000  -60.0000 74

#__ type_ start__ end____ width___ exp.time_
  5 omega   94.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610  125.0000 -180.0000 84

#__ type_ start__ end____ width___ exp.time_
  6 omega   29.00  133.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610  -30.0000  -30.0000 104

#__ type_ start__ end____ width___ exp.time_
  7 omega   29.00  133.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610  -30.0000  150.0000 104

#__ type_ start__ end____ width___ exp.time_
  8 omega   77.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610   30.0000  -30.0000 101

#__ type_ start__ end____ width___ exp.time_
  9 omega   29.00  138.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610  -77.0000 -180.0000 109

#__ type_ start__ end____ width___ exp.time_
 10 omega   94.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610  125.0000  -90.0000 84

#__ type_ start__ end____ width___ exp.time_
 11 omega   77.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610   30.0000  150.0000 101

#__ type_ start__ end____ width___ exp.time_
 12 omega   32.00  121.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610 -125.0000  -30.0000 89

#__ type_ start__ end____ width___ exp.time_
 13 omega   33.00  134.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610  -61.0000  -60.0000 101

#__ type_ start__ end____ width___ exp.time_
 14 omega   22.00  109.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610  -94.0000  120.0000 87

#__ type_ start__ end____ width___ exp.time_
 15 omega -114.00  -13.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.1471  -57.0000   90.0000 101

#__ type_ start__ end____ width___ exp.time_
 16 omega  -96.00   -2.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.1471  125.0000  -60.0000 94

#__ type_ start__ end____ width___ exp.time_
 17 omega -114.00  -13.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.1471  -57.0000 -180.0000 101

#__ type_ start__ end____ width___ exp.time_
 18 omega -117.00   -9.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.1471  -77.0000  -60.0000 108

#__ type_ start__ end____ width___ exp.time_
 19 omega   76.00  177.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610   61.0000  -30.0000 101

#__ type_ start__ end____ width___ exp.time_
 20 omega   76.00  177.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610   61.0000   90.0000 101

#__ type_ start__ end____ width___ exp.time_
 21 omega   77.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610   30.0000 -120.0000 101

#__ type_ start__ end____ width___ exp.time_
 22 omega   76.00  177.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610   61.0000    0.0000 101

#__ type_ start__ end____ width___ exp.time_
 23 omega   77.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610   30.0000   60.0000 101

#__ type_ start__ end____ width___ exp.time_
 24 omega   76.00  177.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610   61.0000 -120.0000 101

#__ type_ start__ end____ width___ exp.time_
 25 omega   79.00  178.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610   45.0000 -180.0000 99

#__ type_ start__ end____ width___ exp.time_
 26 omega   76.00  177.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610   61.0000  -90.0000 101

#__ type_ start__ end____ width___ exp.time_
 27 omega -117.00   -9.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.1471  -77.0000   30.0000 108

#__ type_ start__ end____ width___ exp.time_
 28 omega    9.00  117.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       41.1471   77.0000  -60.0000 108

#__ type_ start__ end____ width___ exp.time_
 29 omega    9.00  117.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       41.1471   77.0000  120.0000 108

#__ type_ start__ end____ width___ exp.time_
 30 omega    9.00  117.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       41.1471   77.0000 -150.0000 108

#__ type_ start__ end____ width___ exp.time_
 31 omega   76.00  177.00   1.0000    4.0000
omega____ theta____ kappa____ phi______ frames
    -      104.9610   61.0000   60.0000 101
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_unetI/netI     0.0252
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            104506
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.951
_diffrn_reflns_theta_min         3.300
_exptl_absorpt_coefficient_mu    4.269
_exptl_absorpt_correction_T_max  0.962
_exptl_absorpt_correction_T_min  0.939
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_description       block
_exptl_crystal_F_000             2704
_exptl_crystal_size_max          0.2785
_exptl_crystal_size_mid          0.2206
_exptl_crystal_size_min          0.1705
_refine_diff_density_max         1.345
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1460
_refine_ls_number_reflns         21992
_refine_ls_number_restraints     258
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0439
_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)+(0.0690P)²+4.6880P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1203
_refine_ls_wR_factor_ref         0.1268
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18858
_reflns_number_total             21992
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt01272a2.cif
_cod_data_source_block           hasj180302a
_cod_depositor_comments
'Adding full bibliography for 7049859--7049867.cif.'
_cod_original_cell_volume        5610.49(13)
_cod_database_code               7049867
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C98 \\sim C99 \\sim C100 \\sim C101 \\sim C102 \\sim C97 \\sim C91 \\sim C92
\\sim C93 \\sim C94 \\sim C96 \\sim C95: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
3. Rigid body (RIGU) restrains
 C92, C93, C94, C95, C96, C91
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C98, C99, C100, C101, C102, C97
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(C98)=Sof(H98)=Sof(C99)=Sof(H99)=Sof(C100)=Sof(H100)=Sof(C101)=Sof(H101)=
 Sof(C102)=Sof(H102)=Sof(C97)=Sof(H97)=1-FVAR(1)
 Sof(C92)=Sof(H92)=Sof(C93)=Sof(H93)=Sof(C94)=Sof(H94)=Sof(C95)=Sof(H95)=
 Sof(C96)=Sof(H96)=Sof(C91)=Sof(H91)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C85(H85), C86(H86), C88(H88), C89(H89), C87(H87), C76(H76), C77(H77),
 C90(H90), C79(H79), C78(H78), C82(H82), C80(H80), C81(H81), C84(H84), C83(H83),
  C73(H73), C75(H75), C74(H74), C92(H92), C93(H93), C94(H94), C95(H95),
 C96(H96), C91(H91), C98(H98), C99(H99), C100(H100), C101(H101), C102(H102),
 C97(H97)
5.b Fitted hexagon refined as free rotating group:
 C92(C93,C94,C95,C96,C91), C98(C99,C100,C101,C102,C97)
5.c Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C71(H71A,H71B,H71C), C27(H27A,H27B,H27C), C69(H69A,H69B,
 H69C), C34(H34A,H34B,H34C), C64(H64A,H64B,H64C), C62(H62A,H62B,H62C), C33(H33A,
 H33B,H33C), C66(H66A,H66B,H66C), C29(H29A,H29B,H29C), C70(H70A,H70B,H70C),
 C68(H68A,H68B,H68C), C30(H30A,H30B,H30C), C36(H36A,H36B,H36C), C72(H72A,H72B,
 H72C), C25(H25A,H25B,H25C), C65(H65A,H65B,H65C), C32(H32A,H32B,H32C), C35(H35A,
 H35B,H35C), C28(H28A,H28B,H28C), C63(H63A,H63B,H63C), C67(H67A,H67B,H67C),
 C26(H26A,H26B,H26C), C61(H61A,H61B,H61C)
;
_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
;
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
Sr3 Sr 0.87445(2) 0.65443(2) 0.33180(2) 0.01728(7) Uani 1 1 d . . . . .
Sr1 Sr 0.62843(2) 0.90396(2) 0.83286(2) 0.01796(7) Uani 1 1 d . . . . .
Sr4 Sr 0.88684(2) 0.59210(2) 0.16509(2) 0.01680(7) Uani 1 1 d . . . . .
Sr2 Sr 0.62825(2) 0.84371(2) 0.66356(2) 0.01759(7) Uani 1 1 d . . . . .
Si6 Si 1.07804(5) 0.74222(3) 0.27265(3) 0.01790(13) Uani 1 1 d . . . . .
Si8 Si 0.65613(5) 0.64040(4) 0.20328(3) 0.02002(14) Uani 1 1 d . . . . .
Si4 Si 0.40158(5) 0.89028(4) 0.71070(3) 0.01935(14) Uani 1 1 d . . . . .
Si5 Si 1.10865(6) 0.60000(4) 0.27546(3) 0.02011(14) Uani 1 1 d . . . . .
Si1 Si 0.85923(6) 0.85328(4) 0.76835(3) 0.02049(14) Uani 1 1 d . . . . .
Si2 Si 0.82283(5) 0.99457(3) 0.77068(3) 0.01801(14) Uani 1 1 d . . . . .
Si7 Si 0.68965(5) 0.50926(3) 0.23926(3) 0.01847(14) Uani 1 1 d . . . . .
Si3 Si 0.44365(5) 0.75807(4) 0.74201(3) 0.01931(14) Uani 1 1 d . . . . .
F25 F 0.83869(12) 0.69227(8) 0.56302(6) 0.0227(3) Uani 1 1 d . . . . .
F5 F 0.63119(12) 0.94889(8) 1.06823(6) 0.0239(3) Uani 1 1 d . . . . .
F21 F 0.66876(12) 0.61889(8) 0.35723(6) 0.0234(3) Uani 1 1 d . . . . .
F10 F 0.82699(11) 0.95392(8) 0.91987(6) 0.0202(3) Uani 1 1 d . . . . .
F1 F 0.43054(12) 0.86508(9) 0.86800(6) 0.0251(3) Uani 1 1 d . . . . .
F9 F 1.02429(11) 0.93797(8) 0.97602(6) 0.0250(3) Uani 1 1 d . . . . .
F11 F 0.42469(11) 0.79733(7) 0.57588(6) 0.0197(3) Uani 1 1 d . . . . .
F35 F 0.91488(12) 0.56003(8) -0.06691(6) 0.0253(3) Uani 1 1 d . . . . .
F16 F 0.61660(12) 0.80467(8) 0.42662(6) 0.0239(3) Uani 1 1 d . . . . .
F20 F 0.82123(12) 0.87782(8) 0.62687(6) 0.0230(3) Uani 1 1 d . . . . .
F6 F 0.63893(13) 0.81475(8) 1.03331(7) 0.0275(3) Uani 1 1 d . . . . .
F40 F 0.69122(12) 0.55295(8) 0.06822(7) 0.0240(3) Uani 1 1 d . . . . .
F36 F 0.91999(13) 0.69550(8) -0.02595(7) 0.0291(3) Uani 1 1 d . . . . .
F30 F 1.06500(11) 0.69850(8) 0.42673(6) 0.0211(3) Uani 1 1 d . . . . .
F19 F 1.00681(12) 0.85846(9) 0.59049(7) 0.0289(3) Uani 1 1 d . . . . .
F31 F 1.08799(12) 0.62685(8) 0.13878(6) 0.0245(3) Uani 1 1 d . . . . .
F26 F 0.84024(13) 0.55839(8) 0.52502(7) 0.0276(3) Uani 1 1 d . . . . .
F12 F 0.22724(12) 0.81422(9) 0.51904(7) 0.0288(3) Uani 1 1 d . . . . .
F24 F 0.64276(13) 0.70731(8) 0.58625(6) 0.0284(3) Uani 1 1 d . . . . .
F23 F 0.45784(13) 0.68015(9) 0.49788(8) 0.0346(4) Uani 1 1 d . . . . .
F15 F 0.61546(13) 0.93853(8) 0.46536(7) 0.0294(3) Uani 1 1 d . . . . .
F8 F 1.03117(13) 0.86185(9) 1.06182(7) 0.0308(4) Uani 1 1 d . . . . .
F3 F 0.24479(13) 0.93018(9) 1.02030(7) 0.0319(4) Uani 1 1 d . . . . .
F2 F 0.24109(12) 0.88093(9) 0.90192(7) 0.0321(4) Uani 1 1 d . . . . .
F29 F 1.25018(12) 0.67856(9) 0.49344(8) 0.0330(4) Uani 1 1 d . . . . .
F34 F 1.10755(14) 0.54187(8) -0.09164(7) 0.0299(3) Uani 1 1 d . . . . .
F33 F 1.29455(13) 0.56750(9) -0.00423(8) 0.0356(4) Uani 1 1 d . . . . .
F18 F 0.99991(12) 0.81390(8) 0.47132(7) 0.0281(3) Uani 1 1 d . . . . .
F22 F 0.47231(12) 0.63476(9) 0.38196(7) 0.0328(4) Uani 1 1 d . . . . .
F17 F 0.80182(13) 0.78509(9) 0.39194(7) 0.0292(3) Uani 1 1 d . . . . .
F7 F 0.83642(14) 0.80177(9) 1.08972(7) 0.0327(4) Uani 1 1 d . . . . .
F32 F 1.28126(13) 0.60933(10) 0.11234(7) 0.0368(4) Uani 1 1 d . . . . .
F4 F 0.44172(13) 0.96447(9) 1.10082(7) 0.0308(4) Uani 1 1 d . . . . .
F13 F 0.22323(14) 0.89084(10) 0.43424(7) 0.0373(4) Uani 1 1 d . . . . .
F39 F 0.50690(13) 0.57168(10) -0.00112(8) 0.0393(4) Uani 1 1 d . . . . .
F14 F 0.41887(15) 0.95258(9) 0.40846(7) 0.0373(4) Uani 1 1 d . . . . .
F27 F 1.02378(16) 0.54039(10) 0.59121(8) 0.0400(4) Uani 1 1 d . . . . .
F28 F 1.23068(14) 0.60004(11) 0.57727(8) 0.0428(4) Uani 1 1 d . . . . .
F37 F 0.73824(15) 0.71406(10) -0.09355(8) 0.0401(4) Uani 1 1 d . . . . .
F38 F 0.52987(15) 0.65154(11) -0.08335(8) 0.0474(5) Uani 1 1 d . . . . .
N5 N 0.85708(16) 0.64504(11) 0.43868(9) 0.0163(4) Uani 1 1 d . . . . .
N6 N 0.89991(16) 0.60676(11) 0.05835(9) 0.0176(4) Uani 1 1 d . . . . .
N1 N 0.62927(16) 0.89615(11) 0.94208(9) 0.0183(4) Uani 1 1 d . . . . .
N7 N 1.02639(16) 0.65657(10) 0.26655(9) 0.0164(4) Uani 1 1 d . . . . .
N2 N 0.62274(16) 0.85447(11) 0.55423(9) 0.0172(4) Uani 1 1 d . . . . .
N4 N 0.48708(16) 0.84014(11) 0.73391(9) 0.0167(4) Uani 1 1 d . . . . .
N8 N 0.73904(16) 0.59120(10) 0.23134(9) 0.0169(4) Uani 1 1 d . . . . .
N3 N 0.77337(16) 0.90846(10) 0.76328(9) 0.0167(4) Uani 1 1 d . . . . .
C20 C 0.8162(2) 0.85723(13) 0.56704(10) 0.0180(5) Uani 1 1 d . . . . .
C37 C 0.76125(19) 0.65098(12) 0.45857(10) 0.0155(4) Uani 1 1 d . . . . .
C21 C 0.9118(2) 0.84692(13) 0.54974(11) 0.0205(5) Uani 1 1 d . . . . .
C1 C 0.53795(19) 0.90191(13) 0.96655(10) 0.0176(5) Uani 1 1 d . . . . .
C55 C 0.99376(19) 0.59925(12) 0.03768(10) 0.0168(5) Uani 1 1 d . . . . .
C2 C 0.4338(2) 0.88785(13) 0.92714(11) 0.0198(5) Uani 1 1 d . . . . .
C19 C 0.71208(19) 0.84693(12) 0.52858(10) 0.0163(5) Uani 1 1 d . . . . .
C38 C 0.6624(2) 0.63905(13) 0.41518(10) 0.0182(5) Uani 1 1 d . . . . .
C56 C 1.0924(2) 0.60804(13) 0.08016(10) 0.0189(5) Uani 1 1 d . . . . .
C6 C 0.5356(2) 0.92778(13) 1.02605(10) 0.0193(5) Uani 1 1 d . . . . .
C24 C 0.7124(2) 0.82269(13) 0.46851(11) 0.0189(5) Uani 1 1 d . . . . .
C42 C 0.74889(19) 0.67417(13) 0.51677(10) 0.0188(5) Uani 1 1 d . . . . .
C22 C 0.9084(2) 0.82438(13) 0.49010(12) 0.0218(5) Uani 1 1 d . . . . .
C41 C 0.6484(2) 0.68328(14) 0.52913(11) 0.0220(5) Uani 1 1 d . . . . .
C4 C 0.3382(2) 0.92090(14) 1.00240(12) 0.0233(5) Uani 1 1 d . . . . .
C59 C 1.1043(2) 0.56589(14) -0.03432(11) 0.0234(5) Uani 1 1 d . . . . .
C5 C 0.4383(2) 0.93692(14) 1.04321(11) 0.0229(5) Uani 1 1 d . . . . .
C40 C 0.5538(2) 0.67040(14) 0.48483(12) 0.0234(5) Uani 1 1 d . . . . .
C7 C 0.72493(19) 0.88853(12) 0.97632(10) 0.0163(5) Uani 1 1 d . . . . .
C43 C 0.94576(19) 0.63368(13) 0.47635(10) 0.0165(5) Uani 1 1 d . . . . .
C60 C 1.0045(2) 0.57605(13) -0.02093(11) 0.0197(5) Uani 1 1 d . . . . .
C15 C 0.3227(2) 0.84311(14) 0.50491(11) 0.0218(5) Uani 1 1 d . . . . .
C39 C 0.5618(2) 0.64806(14) 0.42676(11) 0.0232(5) Uani 1 1 d . . . . .
C13 C 0.5269(2) 0.86338(13) 0.52024(10) 0.0171(5) Uani 1 1 d . . . . .
C23 C 0.8077(2) 0.81154(13) 0.44987(11) 0.0205(5) Uani 1 1 d . . . . .
C10 C 0.9331(2) 0.87029(14) 1.03436(11) 0.0215(5) Uani 1 1 d . . . . .
C9 C 0.9295(2) 0.90904(13) 0.99106(10) 0.0199(5) Uani 1 1 d . . . . .
C49 C 0.8117(2) 0.61871(13) 0.02041(10) 0.0179(5) Uani 1 1 d . . . . .
C57 C 1.1919(2) 0.59816(14) 0.06760(12) 0.0234(5) Uani 1 1 d . . . . .
C14 C 0.4237(2) 0.83446(13) 0.53272(10) 0.0180(5) Uani 1 1 d . . . . .
C31 C 0.7346(2) 1.04132(13) 0.81291(11) 0.0242(5) Uani 1 1 d . . . . .
H31A H 0.655396 1.022941 0.793477 0.036 Uiso 1 1 calc GR . . . .
H31B H 0.756603 1.090113 0.812833 0.036 Uiso 1 1 calc GR . . . .
H31C H 0.746146 1.035040 0.854213 0.036 Uiso 1 1 calc GR . . . .
C44 C 1.0539(2) 0.66134(13) 0.46972(11) 0.0193(5) Uani 1 1 d . . . . .
C58 C 1.1990(2) 0.57725(14) 0.00967(12) 0.0249(5) Uani 1 1 d . . . . .
C8 C 0.8285(2) 0.91726(13) 0.96381(10) 0.0175(5) Uani 1 1 d . . . . .
C3 C 0.3361(2) 0.89643(14) 0.94330(11) 0.0229(5) Uani 1 1 d . . . . .
C45 C 1.1492(2) 0.65067(14) 0.50242(12) 0.0241(5) Uani 1 1 d . . . . .
C16 C 0.3211(2) 0.88260(15) 0.46238(11) 0.0246(5) Uani 1 1 d . . . . .
C71 C 1.0372(2) 0.51559(14) 0.22166(12) 0.0283(6) Uani 1 1 d . . . . .
H71A H 0.958331 0.502650 0.224036 0.042 Uiso 1 1 calc GR . . . .
H71B H 1.073984 0.480273 0.232292 0.042 Uiso 1 1 calc GR . . . .
H71C H 1.042344 0.520184 0.180837 0.042 Uiso 1 1 calc GR . . . .
C18 C 0.5205(2) 0.90424(13) 0.47777(11) 0.0210(5) Uani 1 1 d . . . . .
C53 C 0.6089(2) 0.60090(15) -0.00792(12) 0.0269(6) Uani 1 1 d . . . . .
C48 C 0.9405(2) 0.59198(14) 0.51816(11) 0.0212(5) Uani 1 1 d . . . . .
C50 C 0.8191(2) 0.66181(14) -0.02014(11) 0.0225(5) Uani 1 1 d . . . . .
C12 C 0.7336(2) 0.84862(13) 1.01994(10) 0.0192(5) Uani 1 1 d . . . . .
C27 C 0.4780(2) 0.94882(13) 0.66770(11) 0.0245(5) Uani 1 1 d . . . . .
H27A H 0.550969 0.974486 0.692644 0.037 Uiso 1 1 calc GR . . . .
H27B H 0.433710 0.980744 0.656967 0.037 Uiso 1 1 calc GR . . . .
H27C H 0.488867 0.921494 0.631265 0.037 Uiso 1 1 calc GR . . . .
C69 C 0.9901(2) 0.79073(13) 0.31346(12) 0.0252(5) Uani 1 1 d . . . . .
H69A H 0.910937 0.772313 0.294047 0.038 Uiso 1 1 calc GR . . . .
H69B H 1.012657 0.839198 0.312285 0.038 Uiso 1 1 calc GR . . . .
H69C H 1.001336 0.785738 0.355134 0.038 Uiso 1 1 calc GR . . . .
C54 C 0.7029(2) 0.59054(13) 0.02602(11) 0.0203(5) Uani 1 1 d . . . . .
C34 C 0.7874(2) 0.76909(14) 0.71527(12) 0.0293(6) Uani 1 1 d . . . . .
H34A H 0.710167 0.754741 0.720010 0.044 Uiso 1 1 calc GR . . . .
H34B H 0.827463 0.734538 0.724131 0.044 Uiso 1 1 calc GR . . . .
H34C H 0.787343 0.774245 0.674073 0.044 Uiso 1 1 calc GR . . . .
C17 C 0.4203(2) 0.91298(14) 0.44900(11) 0.0259(6) Uani 1 1 d . . . . .
C64 C 0.6996(2) 0.44448(14) 0.17381(11) 0.0272(5) Uani 1 1 d . . . . .
H64A H 0.664871 0.454981 0.136532 0.041 Uiso 1 1 calc GR . . . .
H64B H 0.660782 0.398751 0.176807 0.041 Uiso 1 1 calc GR . . . .
H64C H 0.778500 0.446012 0.174047 0.041 Uiso 1 1 calc GR . . . .
C62 C 0.7414(2) 0.70011(13) 0.16441(11) 0.0255(5) Uani 1 1 d . . . . .
H62A H 0.810690 0.726609 0.192390 0.038 Uiso 1 1 calc GR . . . .
H62B H 0.697903 0.731237 0.150791 0.038 Uiso 1 1 calc GR . . . .
H62C H 0.759515 0.673330 0.129954 0.038 Uiso 1 1 calc GR . . . .
C11 C 0.8341(2) 0.84048(14) 1.04855(11) 0.0222(5) Uani 1 1 d . . . . .
C47 C 1.0348(2) 0.58121(15) 0.55178(11) 0.0263(6) Uani 1 1 d . . . . .
C46 C 1.1393(2) 0.61083(15) 0.54454(12) 0.0284(6) Uani 1 1 d . . . . .
C51 C 0.7261(2) 0.67260(15) -0.05478(12) 0.0280(6) Uani 1 1 d . . . . .
C33 C 0.9706(2) 1.03267(15) 0.81399(13) 0.0310(6) Uani 1 1 d . . . . .
H33A H 0.980943 1.016711 0.851544 0.046 Uiso 1 1 calc GR . . . .
H33B H 0.985127 1.082598 0.822744 0.046 Uiso 1 1 calc GR . . . .
H33C H 1.022642 1.018579 0.790276 0.046 Uiso 1 1 calc GR . . . .
C66 C 0.7818(2) 0.49425(13) 0.30725(11) 0.0253(5) Uani 1 1 d . . . . .
H66A H 0.860437 0.507651 0.304544 0.038 Uiso 1 1 calc GR . . . .
H66B H 0.761721 0.445753 0.308640 0.038 Uiso 1 1 calc GR . . . .
H66C H 0.770739 0.521621 0.343607 0.038 Uiso 1 1 calc GR . . . .
C29 C 0.4519(2) 0.69428(14) 0.67535(12) 0.0290(6) Uani 1 1 d . . . . .
H29A H 0.411211 0.703315 0.638817 0.044 Uiso 1 1 calc GR . . . .
H29B H 0.418439 0.648003 0.679474 0.044 Uiso 1 1 calc GR . . . .
H29C H 0.530457 0.698334 0.673072 0.044 Uiso 1 1 calc GR . . . .
C70 C 1.2541(2) 0.62289(16) 0.26131(13) 0.0320(6) Uani 1 1 d . . . . .
H70A H 1.252750 0.643383 0.226084 0.048 Uiso 1 1 calc GR . . . .
H70B H 1.281727 0.581589 0.254318 0.048 Uiso 1 1 calc GR . . . .
H70C H 1.303625 0.655639 0.296165 0.048 Uiso 1 1 calc GR . . . .
C68 C 1.2254(2) 0.77964(16) 0.31656(14) 0.0357(7) Uani 1 1 d . . . . .
H68A H 1.234587 0.763918 0.354253 0.054 Uiso 1 1 calc GR . . . .
H68B H 1.240827 0.829599 0.325034 0.054 Uiso 1 1 calc GR . . . .
H68C H 1.277679 0.764927 0.293287 0.054 Uiso 1 1 calc GR . . . .
C30 C 0.5429(2) 0.74429(14) 0.80782(12) 0.0281(6) Uani 1 1 d . . . . .
H30A H 0.620093 0.758514 0.802985 0.042 Uiso 1 1 calc GR . . . .
H30B H 0.525275 0.695811 0.809438 0.042 Uiso 1 1 calc GR . . . .
H30C H 0.534405 0.771446 0.844975 0.042 Uiso 1 1 calc GR . . . .
C36 C 0.8889(3) 0.83217(15) 0.84366(11) 0.0324(6) Uani 1 1 d . . . . .
H36A H 0.936669 0.872602 0.872505 0.049 Uiso 1 1 calc GR . . . .
H36B H 0.927127 0.795082 0.841643 0.049 Uiso 1 1 calc GR . . . .
H36C H 0.818342 0.817762 0.856351 0.049 Uiso 1 1 calc GR . . . .
C52 C 0.6205(2) 0.64176(16) -0.04920(12) 0.0312(6) Uani 1 1 d . . . . .
C72 C 1.1278(3) 0.57942(15) 0.35148(12) 0.0316(6) Uani 1 1 d . . . . .
H72A H 1.175806 0.619346 0.380821 0.047 Uiso 1 1 calc GR . . . .
H72B H 1.162744 0.540939 0.351266 0.047 Uiso 1 1 calc GR . . . .
H72C H 1.054738 0.567187 0.362150 0.047 Uiso 1 1 calc GR . . . .
C25 C 0.3732(3) 0.94992(16) 0.77317(12) 0.0339(6) Uani 1 1 d . . . . .
H25A H 0.328829 0.923569 0.796292 0.051 Uiso 1 1 calc GR . . . .
H25B H 0.331655 0.980480 0.756739 0.051 Uiso 1 1 calc GR . . . .
H25C H 0.444249 0.976999 0.799250 0.051 Uiso 1 1 calc GR . . . .
C65 C 0.5419(2) 0.48512(15) 0.24883(13) 0.0301(6) Uani 1 1 d . . . . .
H65A H 0.528384 0.521612 0.277677 0.045 Uiso 1 1 calc GR . . . .
H65B H 0.529378 0.442633 0.263546 0.045 Uiso 1 1 calc GR . . . .
H65C H 0.490448 0.478472 0.210291 0.045 Uiso 1 1 calc GR . . . .
C32 C 0.8138(3) 1.02185(14) 0.69710(12) 0.0309(6) Uani 1 1 d . . . . .
H32A H 0.868287 1.005764 0.676315 0.046 Uiso 1 1 calc GR . . . .
H32B H 0.830185 1.071788 0.704091 0.046 Uiso 1 1 calc GR . . . .
H32C H 0.738268 1.002217 0.672497 0.046 Uiso 1 1 calc GR . . . .
C85 C 0.9063(3) 0.65051(16) -0.19071(15) 0.0389(7) Uani 1 1 d . . . . .
H85 H 0.926201 0.666735 -0.148589 0.047 Uiso 1 1 calc R . . . .
C35 C 1.0001(2) 0.87841(17) 0.74885(14) 0.0361(7) Uani 1 1 d . . . . .
H35A H 0.993057 0.900102 0.714351 0.054 Uiso 1 1 calc GR . . . .
H35B H 1.028046 0.837627 0.739018 0.054 Uiso 1 1 calc GR . . . .
H35C H 1.052658 0.910594 0.783044 0.054 Uiso 1 1 calc GR . . . .
C28 C 0.2986(2) 0.73186(15) 0.75534(13) 0.0332(6) Uani 1 1 d . . . . .
H28A H 0.285906 0.768017 0.784867 0.050 Uiso 1 1 calc GR . . . .
H28B H 0.289960 0.689570 0.770377 0.050 Uiso 1 1 calc GR . . . .
H28C H 0.243956 0.724303 0.717755 0.050 Uiso 1 1 calc GR . . . .
C86 C 0.9855(3) 0.66337(17) -0.22489(16) 0.0414(7) Uani 1 1 d . . . . .
H86 H 1.060042 0.688107 -0.206391 0.050 Uiso 1 1 calc R . . . .
C63 C 0.6146(3) 0.69890(17) 0.26111(13) 0.0379(7) Uani 1 1 d . . . . .
H63A H 0.563309 0.671999 0.280806 0.057 Uiso 1 1 calc GR . . . .
H63B H 0.577332 0.729672 0.242088 0.057 Uiso 1 1 calc GR . . . .
H63C H 0.681436 0.725791 0.290848 0.057 Uiso 1 1 calc GR . . . .
C67 C 1.0719(3) 0.76909(15) 0.19884(12) 0.0321(6) Uani 1 1 d . . . . .
H67A H 1.128834 0.754084 0.179439 0.048 Uiso 1 1 calc GR . . . .
H67B H 1.086132 0.818939 0.205491 0.048 Uiso 1 1 calc GR . . . .
H67C H 0.997669 0.748243 0.173141 0.048 Uiso 1 1 calc GR . . . .
C26 C 0.2615(2) 0.84359(16) 0.66267(12) 0.0315(6) Uani 1 1 d . . . . .
H26A H 0.269844 0.805359 0.633664 0.047 Uiso 1 1 calc GR . . . .
H26B H 0.229756 0.874831 0.641384 0.047 Uiso 1 1 calc GR . . . .
H26C H 0.211455 0.826131 0.687806 0.047 Uiso 1 1 calc GR . . . .
C88 C 0.8473(3) 0.60352(17) -0.31311(15) 0.0401(7) Uani 1 1 d . . . . .
H88 H 0.827257 0.587339 -0.355239 0.048 Uiso 1 1 calc R . . . .
C61 C 0.5236(2) 0.59143(17) 0.14868(13) 0.0354(7) Uani 1 1 d . . . . .
H61A H 0.536445 0.550323 0.125478 0.053 Uiso 1 1 calc GR . . . .
H61B H 0.500513 0.620114 0.121604 0.053 Uiso 1 1 calc GR . . . .
H61C H 0.464697 0.578257 0.170442 0.053 Uiso 1 1 calc GR . . . .
C89 C 0.7682(3) 0.59050(17) -0.27906(16) 0.0420(8) Uani 1 1 d . . . . .
H89 H 0.693842 0.565515 -0.297625 0.050 Uiso 1 1 calc R . . . .
C87 C 0.9554(3) 0.63997(17) -0.28627(16) 0.0416(8) Uani 1 1 d . . . . .
H87 H 1.009366 0.649010 -0.310016 0.050 Uiso 1 1 calc R . . . .
C76 C 0.1062(3) 0.99205(18) 0.51557(19) 0.0502(9) Uani 1 1 d . . . . .
H76 H 0.179863 0.986390 0.526272 0.060 Uiso 1 1 calc R . . . .
C77 C 0.0562(3) 0.98217(19) 0.45632(18) 0.0510(9) Uani 1 1 d . . . . .
H77 H 0.095621 0.969947 0.426314 0.061 Uiso 1 1 calc R . . . .
C90 C 0.7978(3) 0.61396(17) -0.21783(16) 0.0407(8) Uani 1 1 d . . . . .
H90 H 0.743572 0.605021 -0.194212 0.049 Uiso 1 1 calc R . . . .
C79 C 0.6713(4) 0.8906(2) 0.31003(18) 0.0585(11) Uani 1 1 d . . . . .
H79 H 0.699658 0.900604 0.351990 0.070 Uiso 1 1 calc R . . . .
C78 C -0.0500(3) 0.98980(18) 0.44023(18) 0.0509(9) Uani 1 1 d . . . . .
H78 H -0.084685 0.982740 0.399249 0.061 Uiso 1 1 calc R . . . .
C82 C 0.5912(5) 0.8634(2) 0.18894(18) 0.0602(12) Uani 1 1 d . . . . .
H82 H 0.563066 0.853837 0.146980 0.072 Uiso 1 1 calc R . . . .
C80 C 0.5587(4) 0.8736(2) 0.2880(2) 0.0581(11) Uani 1 1 d . . . . .
H80 H 0.508537 0.870766 0.314434 0.070 Uiso 1 1 calc R . . . .
C81 C 0.5176(4) 0.8604(2) 0.2267(2) 0.0620(11) Uani 1 1 d . . . . .
H81 H 0.439312 0.849342 0.210982 0.074 Uiso 1 1 calc R . . . .
C84 C 0.7439(4) 0.8934(2) 0.2717(2) 0.0598(11) Uani 1 1 d . . . . .
H84 H 0.822350 0.904863 0.287308 0.072 Uiso 1 1 calc R . . . .
C83 C 0.7032(4) 0.8797(2) 0.2106(2) 0.0592(11) Uani 1 1 d . . . . .
H83 H 0.753292 0.881676 0.184093 0.071 Uiso 1 1 calc R . . . .
C73 C 0.5946(4) 0.4952(3) 0.5359(3) 0.0851(18) Uani 1 1 d . . . . .
H73 H 0.660780 0.491604 0.560730 0.102 Uiso 1 1 calc R . . . .
C75 C 0.4846(5) 0.4810(2) 0.4394(2) 0.0792(16) Uani 1 1 d . . . . .
H75 H 0.474064 0.467546 0.397238 0.095 Uiso 1 1 calc R . . . .
C74 C 0.5784(4) 0.4767(2) 0.4757(3) 0.0748(16) Uani 1 1 d . . . . .
H74 H 0.634029 0.460427 0.458624 0.090 Uiso 1 1 calc R . . . .
C92 C 1.1708(5) 0.7600(5) -0.0150(6) 0.055(3) Uani 0.498(16) 1 d . U P A 1
H92 H 1.099692 0.769302 -0.025406 0.066 Uiso 0.498(16) 1 calc R . P A 1
C93 C 1.2236(10) 0.7714(5) 0.0448(5) 0.057(3) Uani 0.498(16) 1 d G U P A 1
H93 H 1.188510 0.788582 0.075217 0.068 Uiso 0.498(16) 1 calc R . P A 1
C94 C 1.3276(10) 0.7578(5) 0.0601(3) 0.057(3) Uani 0.498(16) 1 d G U P A 1
H94 H 1.363690 0.765640 0.100919 0.069 Uiso 0.498(16) 1 calc R . P A 1
C95 C 1.3789(5) 0.7327(5) 0.0156(6) 0.055(3) Uani 0.498(16) 1 d G U P A 1
H95 H 1.450052 0.723420 0.025998 0.066 Uiso 0.498(16) 1 calc R . P A 1
C96 C 1.3262(10) 0.7213(4) -0.0442(5) 0.052(3) Uani 0.498(16) 1 d G U P A 1
H96 H 1.361236 0.704140 -0.074625 0.062 Uiso 0.498(16) 1 calc R . P A 1
C91 C 1.2221(9) 0.7349(4) -0.0595(3) 0.056(3) Uani 0.498(16) 1 d G U P A 1
H91 H 1.186056 0.727081 -0.100328 0.068 Uiso 0.498(16) 1 calc R . P A 1
C98 C 1.1810(6) 0.7425(6) -0.0318(5) 0.065(3) Uani 0.502(16) 1 d . U P A 2
H98 H 1.113007 0.740757 -0.058133 0.078 Uiso 0.502(16) 1 calc R . P A 2
C99 C 1.1909(7) 0.7604(6) 0.0297(5) 0.053(3) Uani 0.502(16) 1 d G U P A 2
H99 H 1.129667 0.770753 0.045337 0.063 Uiso 0.502(16) 1 calc R . P A 2
C100 C 1.2903(10) 0.7630(5) 0.0682(3) 0.062(3) Uani 0.502(16) 1 d G U P A 2
H100 H 1.297078 0.775143 0.110247 0.074 Uiso 0.502(16) 1 calc R . P A 2
C101 C 1.3799(5) 0.7478(5) 0.0453(6) 0.064(3) Uani 0.502(16) 1 d G U P A 2
H101 H 1.447829 0.749537 0.071689 0.077 Uiso 0.502(16) 1 calc R . P A 2
C102 C 1.3700(9) 0.7299(4) -0.0161(7) 0.062(3) Uani 0.502(16) 1 d G U P A 2
H102 H 1.431171 0.719541 -0.031780 0.075 Uiso 0.502(16) 1 calc R . P A 2
C97 C 1.2705(12) 0.7273(4) -0.0547(3) 0.061(3) Uani 0.502(16) 1 d G U P A 2
H97 H 1.263761 0.715151 -0.096692 0.073 Uiso 0.502(16) 1 calc R . P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -0.3528 1.8200 '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
F21 Sr3 F30 119.06(4) . .
F21 Sr3 F17 68.69(4) . .
F30 Sr3 F17 85.44(4) . .
N5 Sr3 F21 60.23(5) . .
N5 Sr3 F30 59.40(5) . .
N5 Sr3 F17 71.48(5) . .
N5 Sr3 N7 138.39(6) . .
N5 Sr3 N8 129.35(6) . .
N7 Sr3 F21 156.83(5) . .
N7 Sr3 F30 82.53(5) . .
N7 Sr3 F17 125.15(5) . .
N8 Sr3 F21 73.87(5) . .
N8 Sr3 F30 161.97(5) . .
N8 Sr3 F17 111.90(5) . .
N8 Sr3 N7 83.25(6) . .
F10 Sr1 F4 84.12(4) . 2_677
F1 Sr1 F10 119.11(4) . .
F1 Sr1 F4 69.15(5) . 2_677
N1 Sr1 F10 59.78(5) . .
N1 Sr1 F1 59.99(5) . .
N1 Sr1 F4 71.08(6) . 2_677
N1 Sr1 N4 131.67(6) . .
N1 Sr1 N3 136.60(6) . .
N4 Sr1 F10 161.42(5) . .
N4 Sr1 F1 76.07(5) . .
N4 Sr1 F4 112.68(5) . 2_677
N4 Sr1 N3 83.06(6) . .
N3 Sr1 F10 80.58(5) . .
N3 Sr1 F1 158.57(6) . .
N3 Sr1 F4 124.90(5) . 2_677
F40 Sr4 F34 73.27(4) . 2_765
F31 Sr4 F40 118.32(4) . .
F31 Sr4 F34 80.09(5) . 2_765
N6 Sr4 F40 58.19(5) . .
N6 Sr4 F31 60.75(5) . .
N6 Sr4 F34 70.94(6) . 2_765
N6 Sr4 N7 128.46(6) . .
N6 Sr4 N8 137.21(6) . .
N7 Sr4 F40 160.61(5) . .
N7 Sr4 F31 73.83(5) . .
N7 Sr4 F34 125.47(5) . 2_765
N8 Sr4 F40 83.19(5) . .
N8 Sr4 F31 156.41(5) . .
N8 Sr4 F34 117.76(5) . 2_765
N8 Sr4 N7 82.90(6) . .
F11 Sr2 F24 74.19(4) . .
F20 Sr2 F11 118.46(4) . .
F20 Sr2 F24 76.24(4) . .
N2 Sr2 F11 58.88(5) . .
N2 Sr2 F20 60.51(5) . .
N2 Sr2 F24 69.52(5) . .
N2 Sr2 N4 135.71(6) . .
N2 Sr2 N3 131.40(6) . .
N4 Sr2 F11 80.82(5) . .
N4 Sr2 F20 159.26(6) . .
N4 Sr2 F24 119.08(5) . .
N4 Sr2 N3 82.81(6) . .
N3 Sr2 F11 160.49(5) . .
N3 Sr2 F20 76.76(5) . .
N3 Sr2 F24 123.57(5) . .
N7 Si6 C69 109.09(11) . .
N7 Si6 C68 116.13(12) . .
N7 Si6 C67 114.06(12) . .
C68 Si6 C69 104.80(13) . .
C68 Si6 C67 106.33(14) . .
C67 Si6 C69 105.55(12) . .
N8 Si8 C62 107.93(11) . .
N8 Si8 C63 114.57(11) . .
N8 Si8 C61 115.10(13) . .
C63 Si8 C62 103.96(13) . .
C63 Si8 C61 106.37(15) . .
C61 Si8 C62 108.19(12) . .
N4 Si4 C27 107.89(11) . .
N4 Si4 C25 113.92(11) . .
N4 Si4 C26 115.88(12) . .
C25 Si4 C27 104.10(13) . .
C25 Si4 C26 105.86(14) . .
C26 Si4 C27 108.46(12) . .
N7 Si5 C71 108.81(11) . .
N7 Si5 C70 118.04(12) . .
N7 Si5 C72 113.69(11) . .
C70 Si5 C71 105.17(13) . .
C72 Si5 C71 105.33(13) . .
C72 Si5 C70 104.79(13) . .
N3 Si1 C34 109.08(11) . .
N3 Si1 C36 113.78(12) . .
N3 Si1 C35 117.88(13) . .
C36 Si1 C34 105.27(13) . .
C36 Si1 C35 105.15(14) . .
C35 Si1 C34 104.62(14) . .
N3 Si2 C31 109.33(11) . .
N3 Si2 C33 116.20(12) . .
N3 Si2 C32 113.21(12) . .
C33 Si2 C31 104.80(13) . .
C32 Si2 C31 105.94(12) . .
C32 Si2 C33 106.56(14) . .
N8 Si7 C64 111.68(11) . .
N8 Si7 C66 108.80(11) . .
N8 Si7 C65 116.86(12) . .
C64 Si7 C66 105.82(12) . .
C65 Si7 C64 106.14(13) . .
C65 Si7 C66 106.90(12) . .
N4 Si3 C29 111.83(11) . .
N4 Si3 C30 108.74(11) . .
N4 Si3 C28 116.53(12) . .
C29 Si3 C30 105.48(13) . .
C28 Si3 C29 106.65(14) . .
C28 Si3 C30 106.97(12) . .
C38 F21 Sr3 116.21(13) . .
C8 F10 Sr1 111.11(13) . .
C2 F1 Sr1 115.22(13) . .
C14 F11 Sr2 111.58(13) . .
C20 F20 Sr2 116.21(13) . .
C54 F40 Sr4 111.91(13) . .
C44 F30 Sr3 110.87(13) . .
C56 F31 Sr4 116.15(13) . .
C41 F24 Sr2 137.72(15) . .
C59 F34 Sr4 136.29(15) . 2_765
C23 F17 Sr3 130.43(14) . .
C5 F4 Sr1 134.40(15) . 2_677
C37 N5 Sr3 121.15(14) . .
C37 N5 C43 120.10(19) . .
C43 N5 Sr3 118.75(14) . .
C55 N6 Sr4 119.42(14) . .
C55 N6 C49 119.25(19) . .
C49 N6 Sr4 121.24(15) . .
C1 N1 Sr1 121.10(15) . .
C7 N1 Sr1 118.20(14) . .
C7 N1 C1 120.65(19) . .
Sr3 N7 Sr4 96.09(6) . .
Si6 N7 Sr3 102.15(9) . .
Si6 N7 Sr4 115.29(9) . .
Si6 N7 Si5 124.02(12) . .
Si5 N7 Sr3 115.63(9) . .
Si5 N7 Sr4 100.63(9) . .
C19 N2 Sr2 120.05(14) . .
C19 N2 C13 120.10(19) . .
C13 N2 Sr2 119.71(14) . .
Sr1 N4 Sr2 97.81(6) . .
Si4 N4 Sr1 110.68(10) . .
Si4 N4 Sr2 104.92(9) . .
Si3 N4 Sr1 105.47(9) . .
Si3 N4 Sr2 108.70(10) . .
Si3 N4 Si4 125.76(12) . .
Sr3 N8 Sr4 97.75(6) . .
Si8 N8 Sr3 112.52(10) . .
Si8 N8 Sr4 104.18(9) . .
Si7 N8 Sr3 105.82(9) . .
Si7 N8 Sr4 108.99(10) . .
Si7 N8 Si8 124.32(12) . .
Sr1 N3 Sr2 96.32(6) . .
Si1 N3 Sr1 116.54(9) . .
Si1 N3 Sr2 100.32(9) . .
Si2 N3 Sr1 101.70(9) . .
Si2 N3 Sr2 116.17(9) . .
Si2 N3 Si1 123.16(12) . .
F20 C20 C21 117.8(2) . .
F20 C20 C19 116.7(2) . .
C21 C20 C19 125.4(2) . .
N5 C37 C38 117.4(2) . .
N5 C37 C42 129.0(2) . .
C42 C37 C38 113.2(2) . .
F19 C21 C20 120.3(2) . .
F19 C21 C22 120.6(2) . .
C20 C21 C22 119.1(2) . .
N1 C1 C2 117.5(2) . .
N1 C1 C6 128.6(2) . .
C6 C1 C2 113.5(2) . .
N6 C55 C56 117.6(2) . .
N6 C55 C60 129.2(2) . .
C56 C55 C60 112.8(2) . .
F1 C2 C1 116.8(2) . .
F1 C2 C3 118.0(2) . .
C3 C2 C1 125.2(2) . .
N2 C19 C20 117.5(2) . .
N2 C19 C24 128.8(2) . .
C24 C19 C20 113.3(2) . .
F21 C38 C37 116.8(2) . .
F21 C38 C39 118.2(2) . .
C39 C38 C37 125.1(2) . .
F31 C56 C55 116.8(2) . .
F31 C56 C57 117.8(2) . .
C57 C56 C55 125.4(2) . .
F5 C6 C1 120.2(2) . .
F5 C6 C5 117.5(2) . .
C5 C6 C1 122.2(2) . .
F16 C24 C19 120.5(2) . .
F16 C24 C23 116.9(2) . .
C23 C24 C19 122.5(2) . .
F25 C42 C37 120.2(2) . .
F25 C42 C41 117.4(2) . .
C41 C42 C37 122.4(2) . .
F18 C22 C21 121.0(2) . .
F18 C22 C23 120.5(2) . .
C21 C22 C23 118.5(2) . .
F24 C41 C42 119.4(2) . .
F24 C41 C40 118.7(2) . .
C40 C41 C42 121.9(2) . .
F3 C4 C5 120.2(2) . .
F3 C4 C3 121.0(2) . .
C3 C4 C5 118.8(2) . .
F34 C59 C60 119.1(2) . .
F34 C59 C58 119.3(2) . .
C58 C59 C60 121.6(2) . .
F4 C5 C6 119.7(2) . .
F4 C5 C4 118.9(2) . .
C4 C5 C6 121.4(2) . .
F23 C40 C41 120.8(2) . .
F23 C40 C39 121.2(2) . .
C41 C40 C39 118.0(2) . .
N1 C7 C8 118.5(2) . .
N1 C7 C12 127.9(2) . .
C8 C7 C12 113.3(2) . .
N5 C43 C44 118.1(2) . .
N5 C43 C48 127.2(2) . .
C44 C43 C48 114.5(2) . .
F35 C60 C55 120.4(2) . .
F35 C60 C59 117.0(2) . .
C59 C60 C55 122.5(2) . .
F12 C15 C14 120.9(2) . .
F12 C15 C16 119.9(2) . .
C16 C15 C14 119.2(2) . .
F22 C39 C38 120.2(2) . .
F22 C39 C40 120.4(2) . .
C38 C39 C40 119.4(2) . .
N2 C13 C14 118.0(2) . .
N2 C13 C18 127.3(2) . .
C18 C13 C14 114.4(2) . .
F17 C23 C24 119.8(2) . .
F17 C23 C22 118.9(2) . .
C22 C23 C24 121.2(2) . .
F8 C10 C9 120.5(2) . .
F8 C10 C11 120.9(2) . .
C11 C10 C9 118.6(2) . .
F9 C9 C10 119.9(2) . .
F9 C9 C8 120.6(2) . .
C8 C9 C10 119.5(2) . .
N6 C49 C50 126.7(2) . .
N6 C49 C54 118.1(2) . .
C50 C49 C54 114.9(2) . .
F32 C57 C56 119.7(2) . .
F32 C57 C58 120.6(2) . .
C58 C57 C56 119.7(2) . .
F11 C14 C15 118.7(2) . .
F11 C14 C13 117.4(2) . .
C15 C14 C13 123.9(2) . .
Si2 C31 H31A 109.5 . .
Si2 C31 H31B 109.5 . .
Si2 C31 H31C 109.5 . .
H31A C31 H31B 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
F30 C44 C43 117.8(2) . .
F30 C44 C45 118.4(2) . .
C45 C44 C43 123.8(2) . .
F33 C58 C59 120.6(2) . .
F33 C58 C57 121.3(2) . .
C57 C58 C59 118.1(2) . .
F10 C8 C7 117.0(2) . .
F10 C8 C9 118.3(2) . .
C9 C8 C7 124.7(2) . .
F2 C3 C2 120.2(2) . .
F2 C3 C4 121.0(2) . .
C4 C3 C2 118.9(2) . .
F29 C45 C44 120.5(2) . .
F29 C45 C46 120.2(2) . .
C46 C45 C44 119.3(2) . .
F13 C16 C15 120.0(2) . .
F13 C16 C17 120.7(2) . .
C17 C16 C15 119.3(2) . .
Si5 C71 H71A 109.5 . .
Si5 C71 H71B 109.5 . .
Si5 C71 H71C 109.5 . .
H71A C71 H71B 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
F15 C18 C13 119.5(2) . .
F15 C18 C17 117.8(2) . .
C17 C18 C13 122.6(2) . .
F39 C53 C54 120.5(2) . .
F39 C53 C52 120.0(2) . .
C54 C53 C52 119.6(2) . .
F26 C48 C43 119.7(2) . .
F26 C48 C47 117.6(2) . .
C47 C48 C43 122.7(2) . .
F36 C50 C49 119.9(2) . .
F36 C50 C51 117.4(2) . .
C51 C50 C49 122.7(2) . .
F6 C12 C7 119.0(2) . .
F6 C12 C11 117.9(2) . .
C11 C12 C7 123.1(2) . .
Si4 C27 H27A 109.5 . .
Si4 C27 H27B 109.5 . .
Si4 C27 H27C 109.5 . .
H27A C27 H27B 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
Si6 C69 H69A 109.5 . .
Si6 C69 H69B 109.5 . .
Si6 C69 H69C 109.5 . .
H69A C69 H69B 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
F40 C54 C49 117.5(2) . .
F40 C54 C53 119.3(2) . .
C53 C54 C49 123.3(2) . .
Si1 C34 H34A 109.5 . .
Si1 C34 H34B 109.5 . .
Si1 C34 H34C 109.5 . .
H34A C34 H34B 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
F14 C17 C16 119.2(2) . .
F14 C17 C18 120.2(2) . .
C16 C17 C18 120.6(2) . .
Si7 C64 H64A 109.5 . .
Si7 C64 H64B 109.5 . .
Si7 C64 H64C 109.5 . .
H64A C64 H64B 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
Si8 C62 H62A 109.5 . .
Si8 C62 H62B 109.5 . .
Si8 C62 H62C 109.5 . .
H62A C62 H62B 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
F7 C11 C10 119.1(2) . .
F7 C11 C12 120.1(2) . .
C12 C11 C10 120.8(2) . .
F27 C47 C48 119.7(2) . .
F27 C47 C46 119.8(2) . .
C46 C47 C48 120.5(2) . .
F28 C46 C45 120.6(3) . .
F28 C46 C47 120.3(3) . .
C47 C46 C45 119.2(2) . .
F37 C51 C50 120.1(3) . .
F37 C51 C52 119.7(2) . .
C52 C51 C50 120.2(2) . .
Si2 C33 H33A 109.5 . .
Si2 C33 H33B 109.5 . .
Si2 C33 H33C 109.5 . .
H33A C33 H33B 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
Si7 C66 H66A 109.5 . .
Si7 C66 H66B 109.5 . .
Si7 C66 H66C 109.5 . .
H66A C66 H66B 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
Si3 C29 H29A 109.5 . .
Si3 C29 H29B 109.5 . .
Si3 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
Si5 C70 H70A 109.5 . .
Si5 C70 H70B 109.5 . .
Si5 C70 H70C 109.5 . .
H70A C70 H70B 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
Si6 C68 H68A 109.5 . .
Si6 C68 H68B 109.5 . .
Si6 C68 H68C 109.5 . .
H68A C68 H68B 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
Si3 C30 H30A 109.5 . .
Si3 C30 H30B 109.5 . .
Si3 C30 H30C 109.5 . .
H30A C30 H30B 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
Si1 C36 H36A 109.5 . .
Si1 C36 H36B 109.5 . .
Si1 C36 H36C 109.5 . .
H36A C36 H36B 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
F38 C52 C53 120.4(3) . .
F38 C52 C51 120.3(3) . .
C51 C52 C53 119.3(2) . .
Si5 C72 H72A 109.5 . .
Si5 C72 H72B 109.5 . .
Si5 C72 H72C 109.5 . .
H72A C72 H72B 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
Si4 C25 H25A 109.5 . .
Si4 C25 H25B 109.5 . .
Si4 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
Si7 C65 H65A 109.5 . .
Si7 C65 H65B 109.5 . .
Si7 C65 H65C 109.5 . .
H65A C65 H65B 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
Si2 C32 H32A 109.5 . .
Si2 C32 H32B 109.5 . .
Si2 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C86 C85 H85 120.0 . .
C86 C85 C90 120.1(3) . .
C90 C85 H85 120.0 . .
Si1 C35 H35A 109.5 . .
Si1 C35 H35B 109.5 . .
Si1 C35 H35C 109.5 . .
H35A C35 H35B 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
Si3 C28 H28A 109.5 . .
Si3 C28 H28B 109.5 . .
Si3 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C85 C86 H86 120.2 . .
C85 C86 C87 119.5(3) . .
C87 C86 H86 120.2 . .
Si8 C63 H63A 109.5 . .
Si8 C63 H63B 109.5 . .
Si8 C63 H63C 109.5 . .
H63A C63 H63B 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
Si6 C67 H67A 109.5 . .
Si6 C67 H67B 109.5 . .
Si6 C67 H67C 109.5 . .
H67A C67 H67B 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
Si4 C26 H26A 109.5 . .
Si4 C26 H26B 109.5 . .
Si4 C26 H26C 109.5 . .
H26A C26 H26B 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C89 C88 H88 119.9 . .
C89 C88 C87 120.3(3) . .
C87 C88 H88 119.9 . .
Si8 C61 H61A 109.5 . .
Si8 C61 H61B 109.5 . .
Si8 C61 H61C 109.5 . .
H61A C61 H61B 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C88 C89 H89 120.2 . .
C88 C89 C90 119.7(3) . .
C90 C89 H89 120.2 . .
C86 C87 H87 119.9 . .
C88 C87 C86 120.2(3) . .
C88 C87 H87 119.9 . .
C77 C76 H76 119.8 . .
C77 C76 C78 120.4(4) . 2_576
C78 C76 H76 119.8 2_576 .
C76 C77 H77 119.8 . .
C78 C77 C76 120.4(4) . .
C78 C77 H77 119.8 . .
C85 C90 H90 119.9 . .
C89 C90 C85 120.2(3) . .
C89 C90 H90 119.9 . .
C80 C79 H79 119.9 . .
C80 C79 C84 120.2(4) . .
C84 C79 H79 119.9 . .
C76 C78 H78 120.4 2_576 .
C77 C78 C76 119.2(4) . 2_576
C77 C78 H78 120.4 . .
C81 C82 H82 119.5 . .
C83 C82 H82 119.5 . .
C83 C82 C81 121.1(4) . .
C79 C80 H80 120.2 . .
C79 C80 C81 119.7(4) . .
C81 C80 H80 120.2 . .
C82 C81 C80 119.5(4) . .
C82 C81 H81 120.3 . .
C80 C81 H81 120.3 . .
C79 C84 H84 119.9 . .
C79 C84 C83 120.2(4) . .
C83 C84 H84 119.9 . .
C82 C83 C84 119.3(4) . .
C82 C83 H83 120.3 . .
C84 C83 H83 120.3 . .
C75 C73 H73 120.2 2_666 .
C74 C73 H73 120.2 . .
C74 C73 C75 119.5(5) . 2_666
C73 C75 H75 120.4 2_666 .
C74 C75 C73 119.1(5) . 2_666
C74 C75 H75 120.4 . .
C73 C74 C75 121.4(5) . .
C73 C74 H74 119.3 . .
C75 C74 H74 119.3 . .
C93 C92 H92 120.0 . .
C93 C92 C91 120.0 . .
C91 C92 H92 120.0 . .
C92 C93 H93 120.0 . .
C92 C93 C94 120.0 . .
C94 C93 H93 120.0 . .
C93 C94 H94 120.0 . .
C95 C94 C93 120.0 . .
C95 C94 H94 120.0 . .
C94 C95 H95 120.0 . .
C94 C95 C96 120.0 . .
C96 C95 H95 120.0 . .
C95 C96 H96 120.0 . .
C91 C96 C95 120.0 . .
C91 C96 H96 120.0 . .
C92 C91 H91 120.0 . .
C96 C91 C92 120.0 . .
C96 C91 H91 120.0 . .
C99 C98 H98 120.0 . .
C99 C98 C97 120.0 . .
C97 C98 H98 120.0 . .
C98 C99 H99 120.0 . .
C100 C99 C98 120.0 . .
C100 C99 H99 120.0 . .
C99 C100 H100 120.0 . .
C101 C100 C99 120.0 . .
C101 C100 H100 120.0 . .
C100 C101 H101 120.0 . .
C100 C101 C102 120.0 . .
C102 C101 H101 120.0 . .
C101 C102 H102 120.0 . .
C97 C102 C101 120.0 . .
C97 C102 H102 120.0 . .
C98 C97 H97 120.0 . .
C102 C97 C98 120.0 . .
C102 C97 H97 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sr3 F21 2.7156(15) .
Sr3 F30 2.8280(15) .
Sr3 F17 3.1876(16) .
Sr3 N5 2.5639(19) .
Sr3 N7 2.623(2) .
Sr3 N8 2.589(2) .
Sr1 F10 2.7982(14) .
Sr1 F1 2.7396(15) .
Sr1 F4 3.2385(17) 2_677
Sr1 N1 2.5673(19) .
Sr1 N4 2.598(2) .
Sr1 N3 2.624(2) .
Sr4 F40 2.8969(15) .
Sr4 F31 2.6699(15) .
Sr4 F34 3.0010(16) 2_765
Sr4 N6 2.5752(19) .
Sr4 N7 2.632(2) .
Sr4 N8 2.599(2) .
Sr2 F11 2.8468(14) .
Sr2 F20 2.6896(15) .
Sr2 F24 3.1168(16) .
Sr2 N2 2.5766(19) .
Sr2 N4 2.601(2) .
Sr2 N3 2.634(2) .
Si6 N7 1.710(2) .
Si6 C69 1.898(3) .
Si6 C68 1.879(3) .
Si6 C67 1.881(3) .
Si8 N8 1.719(2) .
Si8 C62 1.896(3) .
Si8 C63 1.863(3) .
Si8 C61 1.876(3) .
Si4 N4 1.718(2) .
Si4 C27 1.895(3) .
Si4 C25 1.868(3) .
Si4 C26 1.871(3) .
Si5 N7 1.722(2) .
Si5 C71 1.895(3) .
Si5 C70 1.880(3) .
Si5 C72 1.872(3) .
Si1 N3 1.723(2) .
Si1 C34 1.886(3) .
Si1 C36 1.867(3) .
Si1 C35 1.883(3) .
Si2 N3 1.711(2) .
Si2 C31 1.898(3) .
Si2 C33 1.880(3) .
Si2 C32 1.879(3) .
Si7 N8 1.715(2) .
Si7 C64 1.883(3) .
Si7 C66 1.902(2) .
Si7 C65 1.872(3) .
Si3 N4 1.707(2) .
Si3 C29 1.884(3) .
Si3 C30 1.900(3) .
Si3 C28 1.875(3) .
F25 C42 1.354(3) .
F5 C6 1.349(3) .
F21 C38 1.361(3) .
F10 C8 1.365(3) .
F1 C2 1.365(3) .
F9 C9 1.339(3) .
F11 C14 1.357(3) .
F35 C60 1.351(3) .
F16 C24 1.348(3) .
F20 C20 1.369(3) .
F6 C12 1.353(3) .
F40 C54 1.353(3) .
F36 C50 1.345(3) .
F30 C44 1.362(3) .
F19 C21 1.338(3) .
F31 C56 1.365(3) .
F26 C48 1.347(3) .
F12 C15 1.336(3) .
F24 C41 1.354(3) .
F23 C40 1.335(3) .
F15 C18 1.349(3) .
F8 C10 1.344(3) .
F3 C4 1.345(3) .
F2 C3 1.337(3) .
F29 C45 1.338(3) .
F34 C59 1.350(3) .
F33 C58 1.337(3) .
F18 C22 1.338(3) .
F22 C39 1.339(3) .
F17 C23 1.347(3) .
F7 C11 1.342(3) .
F32 C57 1.341(3) .
F4 C5 1.352(3) .
F13 C16 1.345(3) .
F39 C53 1.338(3) .
F14 C17 1.343(3) .
F27 C47 1.345(3) .
F28 C46 1.343(3) .
F37 C51 1.344(3) .
F38 C52 1.342(3) .
N5 C37 1.378(3) .
N5 C43 1.379(3) .
N6 C55 1.370(3) .
N6 C49 1.383(3) .
N1 C1 1.378(3) .
N1 C7 1.374(3) .
N2 C19 1.378(3) .
N2 C13 1.384(3) .
C20 C21 1.371(3) .
C20 C19 1.402(3) .
C37 C38 1.404(3) .
C37 C42 1.401(3) .
C21 C22 1.375(4) .
C1 C2 1.403(3) .
C1 C6 1.402(3) .
C55 C56 1.402(3) .
C55 C60 1.403(3) .
C2 C3 1.375(4) .
C19 C24 1.401(3) .
C38 C39 1.374(3) .
C56 C57 1.374(3) .
C6 C5 1.383(3) .
C24 C23 1.385(3) .
C42 C41 1.380(3) .
C22 C23 1.382(4) .
C41 C40 1.375(4) .
C4 C5 1.377(4) .
C4 C3 1.374(4) .
C59 C60 1.387(4) .
C59 C58 1.376(4) .
C40 C39 1.377(4) .
C7 C8 1.405(3) .
C7 C12 1.410(3) .
C43 C44 1.397(3) .
C43 C48 1.398(3) .
C15 C14 1.380(3) .
C15 C16 1.379(4) .
C13 C14 1.401(3) .
C13 C18 1.400(3) .
C10 C9 1.383(3) .
C10 C11 1.380(4) .
C9 C8 1.373(3) .
C49 C50 1.397(3) .
C49 C54 1.399(3) .
C57 C58 1.365(4) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C44 C45 1.381(3) .
C45 C46 1.381(4) .
C16 C17 1.377(4) .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C18 C17 1.380(4) .
C53 C54 1.378(3) .
C53 C52 1.381(4) .
C48 C47 1.381(3) .
C50 C51 1.379(4) .
C12 C11 1.377(3) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C47 C46 1.371(4) .
C51 C52 1.377(4) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C85 H85 0.9500 .
C85 C86 1.382(5) .
C85 C90 1.386(5) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C86 H86 0.9500 .
C86 C87 1.384(5) .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C67 H67A 0.9800 .
C67 H67B 0.9800 .
C67 H67C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C88 H88 0.9500 .
C88 C89 1.378(5) .
C88 C87 1.381(5) .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C89 H89 0.9500 .
C89 C90 1.381(5) .
C87 H87 0.9500 .
C76 H76 0.9500 .
C76 C77 1.374(6) .
C76 C78 1.384(5) 2_576
C77 H77 0.9500 .
C77 C78 1.368(5) .
C90 H90 0.9500 .
C79 H79 0.9500 .
C79 C80 1.362(7) .
C79 C84 1.376(6) .
C78 H78 0.9500 .
C82 H82 0.9500 .
C82 C81 1.375(7) .
C82 C83 1.355(7) .
C80 H80 0.9500 .
C80 C81 1.388(6) .
C81 H81 0.9500 .
C84 H84 0.9500 .
C84 C83 1.383(6) .
C83 H83 0.9500 .
C73 H73 0.9500 .
C73 C75 1.362(8) 2_666
C73 C74 1.353(8) .
C75 H75 0.9500 .
C75 C74 1.353(8) .
C74 H74 0.9500 .
C92 H92 0.9500 .
C92 C93 1.3900 .
C92 C91 1.3900 .
C93 H93 0.9500 .
C93 C94 1.3900 .
C94 H94 0.9500 .
C94 C95 1.3900 .
C95 H95 0.9500 .
C95 C96 1.3900 .
C96 H96 0.9500 .
C96 C91 1.3900 .
C91 H91 0.9500 .
C98 H98 0.9500 .
C98 C99 1.3900 .
C98 C97 1.3900 .
C99 H99 0.9500 .
C99 C100 1.3900 .
C100 H100 0.9500 .
C100 C101 1.3900 .
C101 H101 0.9500 .
C101 C102 1.3900 .
C102 H102 0.9500 .
C102 C97 1.3900 .
C97 H97 0.9500 .
