#------------------------------------------------------------------------------
#$Date: 2025-07-06 20:03:33 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300964 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/80/7718008.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_7718008
loop_
_publ_author_name
'Haynes, Matthew D.'
'O'Reilly, Andrea'
'Poole, Alice J. M.'
'Roper, Aisling F.'
'Thum, Stefan'
'Morris, Louis J.'
'Coles, Martyn P.'
'Fulton, J. Robin'
'Harder, Sjoerd'
'Turner, Zoë R'
'O'Hare, Dermot'
_publ_section_title
;
 Heavier alkaline earth and heterobimetallic s-block "ate" complexes of a
 di(amido)siloxane ligand: solid-state structure and dynamic
 solution-phase behaviour.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4542
_journal_page_last               4555
_journal_paper_doi               10.1039/d5dt00044k
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C34 H64 K N3 O Si4 Sr'
_chemical_formula_sum            'C34 H64 K N3 O Si4 Sr'
_chemical_formula_weight         769.96
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-10-27
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2024-12-18 deposited with the CCDC.	2025-02-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.5555(2)
_cell_length_b                   20.6930(2)
_cell_length_c                   16.8114(2)
_cell_measurement_reflns_used    39587
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      76.3940
_cell_measurement_theta_min      3.7690
_cell_volume                     8542.33(15)
_computing_cell_refinement       'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.72a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.5035
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -1.00  36.00   1.00    3.00    --  -41.52  19.00-120.00   37
  2  ω     -3.00  31.00   1.00    3.00    --  -41.52  19.00  30.00   34
  3  ω      2.00  31.00   1.00    3.00    --  -41.52  19.00 -90.00   29
  4  ω     -2.00  24.00   1.00    3.00    --  -41.52  19.00 -60.00   26
  5  ω     -5.00  22.00   1.00    3.00    --  -41.52  19.00 150.00   27
  6  ω    -19.00  18.00   1.00    3.00    --  -41.52  37.00-180.00   37
  7  ω     58.00  84.00   1.00   14.00    --  111.00 -61.00  60.00   26
  8  ω     51.00  77.00   1.00   14.00    --  111.00 -59.00-106.00   26
  9  ω     42.00 117.00   1.00   14.00    --  111.00 -77.00 150.00   75
 10  ω     40.00  65.00   1.00   14.00    --  111.00 -45.00  60.00   25
 11  ω     40.00  65.00   1.00   14.00    --  111.00 -45.00   0.00   25
 12  ω    106.00 174.00   1.00   14.00    --  111.00  77.00 150.00   68
 13  ω     41.00  68.00   1.00   14.00    --  111.00 -45.00 -90.00   27
 14  ω     46.00  90.00   1.00   14.00    --  111.00 -61.00  30.00   44
 15  ω    103.00 172.00   1.00   14.00    --  111.00  77.00  60.00   69
 16  ω     32.00  90.00   1.00    3.00    --   41.52-125.00  30.00   58
 17  ω     27.00  76.00   1.00    3.00    --   41.52 -99.00-180.00   49
 18  ω    107.00 170.00   1.00   14.00    --  111.00  45.00 -60.00   63
 19  ω     79.00 136.00   1.00   14.00    --  111.00 178.00  60.00   57
 20  ω     71.00 103.00   1.00   14.00    --  111.00 -94.00  60.00   32
 21  ω     47.00  73.00   1.00   14.00    --  111.00 -61.00 150.00   26
 22  ω     76.00 102.00   1.00   14.00    --  111.00-111.00 150.00   26
 23  ω     60.00  87.00   1.00   14.00    --  111.00 -61.00  90.00   27
 24  ω     51.00  97.00   1.00   14.00    --  111.00-111.00 -60.00   46
 25  ω     54.00  80.00   1.00   14.00    --  111.00 -61.00-180.00   26
 26  ω     57.00  85.00   1.00   14.00    --  111.00-111.00  60.00   28
 27  ω      0.00  27.00   1.00    3.00    --  -41.52  37.00 -30.00   27
 28  ω      5.00  31.00   1.00    3.00    --  -41.52  19.00-150.00   26
 29  ω    -21.00  20.00   1.00    3.00    --  -41.52  37.00 120.00   41
 30  ω     11.00  37.00   1.00    3.00    --  -41.52  19.00-180.00   26
 31  ω     33.00  59.00   1.00    3.00    --   41.52-125.00 -60.00   26
 32  ω     25.00  64.00   1.00    3.00    --   41.52 -99.00  30.00   39
 33  ω     36.00  62.00   1.00    3.00    --   41.52-125.00 150.00   26
 34  ω    113.00 138.00   1.00   14.00    --  111.00  73.00-108.00   25
 35  ω     45.00  83.00   1.00   14.00    --  111.00-111.00-180.00   38
 36  ω    107.00 139.00   1.00   14.00    --  111.00  77.00  30.00   32
 37  ω     71.00 107.00   1.00   14.00    --  111.00 -94.00 120.00   36
 38  ω     84.00 159.00   1.00   14.00    --  111.00  61.00-180.00   75
 39  ω     69.00 108.00   1.00   14.00    --  111.00-111.00   0.00   39
 40  ω     40.00  65.00   1.00   14.00    --  111.00 -45.00  30.00   25
 41  ω    111.00 170.00   1.00   14.00    --  111.00 111.00 120.00   59
 42  ω     84.00 109.00   1.00   14.00    --  111.00-111.00-120.00   25
 43  ω     76.00 109.00   1.00   14.00    --  111.00-111.00  30.00   33
 44  ω     83.00 109.00   1.00   14.00    --  111.00-111.00  90.00   26
 45  ω    115.00 139.00   1.00   14.00    --  111.00 111.00   0.00   24
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0506075000
_diffrn_orient_matrix_UB_12      0.0517667000
_diffrn_orient_matrix_UB_13      0.0130226000
_diffrn_orient_matrix_UB_21      0.0059030000
_diffrn_orient_matrix_UB_22      -0.0379748000
_diffrn_orient_matrix_UB_23      0.0673868000
_diffrn_orient_matrix_UB_31      0.0365396000
_diffrn_orient_matrix_UB_32      -0.0654245000
_diffrn_orient_matrix_UB_33      -0.0289119000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            84481
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.377
_diffrn_reflns_theta_min         3.836
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    3.905
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43055
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.72a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.197
_exptl_crystal_description       'rect. Prism'
_exptl_crystal_F_000             3280
_exptl_crystal_recrystallization_method
'Crystallised from concentrated benzene solution at room temperature'
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.382
_refine_diff_density_min         -0.261
_refine_diff_density_rms         0.046
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.326(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     872
_refine_ls_number_reflns         16314
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0298P)²+2.3037P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0747
_reflns_Friedel_coverage         0.932
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                15086
_reflns_number_total             16314
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt00044k2.cif
_cod_data_source_block           063ljm23
_cod_depositor_comments
'Adding full bibliography for 7718002--7718016.cif.'
_cod_database_code               7718008
_shelx_shelxl_version_number     2014/7
_chemical_oxdiff_formula         'C34 H64 Sr1 N3 Si4 K1 O1'
_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   0.772
_shelx_estimated_absorpt_t_min   0.304
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.674(12)
 0.326(12)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 C48-C49B \\sim C48-C49A
 with sigma of 0.02
 C48-C50B \\sim C48-C50A
 with sigma of 0.02
 C14-C15B \\sim C14-C15A
 with sigma of 0.02
 C14-C16B \\sim C14-C16A
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
C49A \\sim C50A \\sim C49B \\sim C50B: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
C15A \\sim C16A \\sim C15B \\sim C16B: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
5. Others
 Sof(H48A)=Sof(C49A)=Sof(H49A)=Sof(H49B)=Sof(H49C)=Sof(C50A)=Sof(H50A)=
 Sof(H50B)=Sof(H50C)=1-FVAR(1)
 Sof(H48)=Sof(C49B)=Sof(H49D)=Sof(H49E)=Sof(H49F)=Sof(C50B)=Sof(H50D)=
 Sof(H50E)=Sof(H50F)=FVAR(1)
 Sof(H14A)=Sof(C15A)=Sof(H15A)=Sof(H15B)=Sof(H15C)=Sof(C16A)=Sof(H16A)=
 Sof(H16B)=Sof(H16C)=1-FVAR(2)
 Sof(H14)=Sof(C15B)=Sof(H15D)=Sof(H15E)=Sof(H15F)=Sof(C16B)=Sof(H16D)=
 Sof(H16E)=Sof(H16F)=FVAR(2)
6.a Ternary CH refined with riding coordinates:
 C11(H11), C14(H14), C14(H14A), C23(H23), C26(H26), C45(H45), C48(H48),
 C48(H48A), C57(H57), C60(H60)
6.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C8(H8), C9(H9), C19(H19), C20(H20), C21(H21), C41(H41), C42(H42),
 C43(H43), C53(H53), C54(H54), C55(H55)
6.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C12(H12A,
 H12B,H12C), C13(H13A,H13B,H13C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C),
 C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29C,H29B), C30(H30A,H30C,
 H30B), C31(H31A,H31B,H31C), C32(H32A,H32C,H32B), C33(H33A,H33B,H33C), C34(H34A,
 H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C),
 C38(H38A,H38B,H38C), C46(H46A,H46B,H46C), C47(H47A,H47B,H47C), C58(H58A,H58B,
 H58C), C59(H59A,H59B,H59C), C61(H61A,H61B,H61C), C62(H62A,H62B,H62C), C63(H63A,
 H63B,H63C), C64(H64A,H64C,H64B), C65(H65A,H65B,H65C), C66(H66A,H66C,H66B),
 C67(H67A,H67C,H67B), C68(H68A,H68B,H68C), C15A(H15A,H15B,H15C), C16A(H16A,H16B,
 H16C), C49A(H49A,H49B,H49C), C50A(H50A,H50B,H50C), C15B(H15D,H15E,H15F),
 C16B(H16D,H16E,H16F), C49B(H49D,H49E,H49F), C50B(H50D,H50E,H50F)
;
_ins_header
;
TITL 063ljm23_rint in Pnma 
REM Pnma (#62, found as Pmcn in cab setting)
CELL 1.54184  24.555459  16.811373  20.692995  90.0000  90.0000  90.0000
ZERR    8.00   0.000229   0.000152   0.000210   0.0000   0.0000   0.0000
LATT  1
SYMM -x+1/2,-y, z+1/2 
SYMM -x, y+1/2,-z 
SYMM  x+1/2,-y+1/2,-z+1/2 
SFAC C H N O Si K Sr
UNIT 384.00 512.00 24.00 8.00 32.00 8.00 8.00
REM  CrysAlisPro recorded range (K): Min=150.0; max=150.0; aver:150.0
TEMP -123
TREF
HKLF 4
END
;
_olex2_exptl_crystal_mounting_method
'mounted on a MiTeGen MicroMount using perfluoropolyether oil and rapidly transferred to a goniometer head on a diffractometer fitted with an Oxford Cryostream open-flow nitrogen cooling device'
_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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.549
_oxdiff_exptl_absorpt_empirical_full_min 0.568
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr 0.29861(2) 0.80493(2) 0.49326(2) 0.03261(8) Uani 1 1 d . . . . .
Sr2 Sr 0.44095(2) 0.31016(2) 0.50675(2) 0.02976(7) Uani 1 1 d . . . . .
K1 K 0.29109(3) 0.60061(4) 0.48547(6) 0.04219(19) Uani 1 1 d . . . . .
K2 K 0.44669(3) 0.10200(4) 0.50711(7) 0.04000(17) Uani 1 1 d . . . . .
Si1 Si 0.24801(4) 0.94893(5) 0.50918(7) 0.0340(2) Uani 1 1 d . . . . .
Si2 Si 0.16790(4) 0.82518(5) 0.48405(7) 0.0335(2) Uani 1 1 d . . . . .
Si3 Si 0.31188(4) 0.70973(5) 0.65367(6) 0.0320(2) Uani 1 1 d . . . . .
Si4 Si 0.40720(4) 0.70343(5) 0.53235(6) 0.0314(2) Uani 1 1 d . . . . .
Si5 Si 0.49101(4) 0.45473(4) 0.49390(8) 0.0363(2) Uani 1 1 d . . . . .
Si6 Si 0.56944(4) 0.33353(5) 0.53818(8) 0.0401(2) Uani 1 1 d . . . . .
Si7 Si 0.33413(4) 0.20738(5) 0.46767(6) 0.02891(19) Uani 1 1 d . . . . .
Si8 Si 0.42920(4) 0.21536(5) 0.34546(6) 0.0323(2) Uani 1 1 d . . . . .
O1 O 0.21622(9) 0.87844(12) 0.5052(2) 0.0383(5) Uani 1 1 d . . . . .
O2 O 0.52216(10) 0.38442(12) 0.5084(2) 0.0402(6) Uani 1 1 d . . . . .
N1 N 0.31247(11) 0.92580(14) 0.4950(2) 0.0347(6) Uani 1 1 d . . . . .
N2 N 0.20524(12) 0.75895(16) 0.46327(19) 0.0339(6) Uani 1 1 d . . . . .
N3 N 0.34186(12) 0.70985(15) 0.56299(19) 0.0308(6) Uani 1 1 d . . . . .
N4 N 0.42591(12) 0.43166(14) 0.4979(2) 0.0346(6) Uani 1 1 d . . . . .
N5 N 0.53260(12) 0.26554(16) 0.5484(2) 0.0362(7) Uani 1 1 d . . . . .
N6 N 0.39892(11) 0.21372(15) 0.43562(18) 0.0285(6) Uani 1 1 d . . . . .
C1 C 0.2145(2) 1.0030(2) 0.4340(3) 0.0545(12) Uani 1 1 d . . . . .
H1A H 0.2185 0.9842 0.3809 0.082 Uiso 1 1 calc R U . . .
H1B H 0.2318 1.0457 0.4352 0.082 Uiso 1 1 calc R U . . .
H1C H 0.1757 1.0074 0.4468 0.082 Uiso 1 1 calc R U . . .
C2 C 0.2328(2) 0.9840(3) 0.6092(3) 0.0539(12) Uani 1 1 d . . . . .
H2A H 0.1933 0.9895 0.6151 0.081 Uiso 1 1 calc R U . . .
H2B H 0.2507 1.0261 0.6144 0.081 Uiso 1 1 calc R U . . .
H2C H 0.2462 0.9548 0.6507 0.081 Uiso 1 1 calc R U . . .
C3 C 0.1271(2) 0.8551(3) 0.3980(4) 0.0633(14) Uani 1 1 d . . . . .
H3A H 0.1078 0.8946 0.4133 0.095 Uiso 1 1 calc R U . . .
H3B H 0.1008 0.8220 0.3821 0.095 Uiso 1 1 calc R U . . .
H3C H 0.1515 0.8645 0.3533 0.095 Uiso 1 1 calc R U . . .
C4 C 0.12394(16) 0.8271(2) 0.5750(3) 0.0460(10) Uani 1 1 d . . . . .
H4A H 0.1453 0.8134 0.6212 0.069 Uiso 1 1 calc R U . . .
H4B H 0.0930 0.7979 0.5678 0.069 Uiso 1 1 calc R U . . .
H4C H 0.1105 0.8712 0.5835 0.069 Uiso 1 1 calc R U . . .
C5 C 0.36437(14) 0.94683(17) 0.4815(2) 0.0330(8) Uani 1 1 d . . . . .
C6 C 0.38311(17) 0.9626(2) 0.4030(3) 0.0394(8) Uani 1 1 d . . . . .
C7 C 0.43820(18) 0.9711(2) 0.3883(3) 0.0453(10) Uani 1 1 d . . . . .
H7 H 0.4499 0.9805 0.3357 0.054 Uiso 1 1 calc R U . . .
C8 C 0.47674(18) 0.9663(2) 0.4484(4) 0.0517(12) Uani 1 1 d . . . . .
H8 H 0.5144 0.9709 0.4370 0.062 Uiso 1 1 calc R U . . .
C9 C 0.45908(16) 0.9546(2) 0.5254(3) 0.0458(11) Uani 1 1 d . . . . .
H9 H 0.4852 0.9522 0.5669 0.055 Uiso 1 1 calc R U . . .
C10 C 0.40415(15) 0.94634(19) 0.5437(3) 0.0377(8) Uani 1 1 d . . . . .
C11 C 0.3425(2) 0.9660(3) 0.3355(3) 0.0553(12) Uani 1 1 d . . . . .
H11 H 0.3054 0.9701 0.3596 0.066 Uiso 1 1 calc R U . . .
C12 C 0.3431(4) 0.9041(4) 0.2867(4) 0.091(2) Uani 1 1 d . . . . .
H12A H 0.3784 0.8997 0.2601 0.137 Uiso 1 1 calc R U . . .
H12B H 0.3141 0.9058 0.2467 0.137 Uiso 1 1 calc R U . . .
H12C H 0.3372 0.8670 0.3219 0.137 Uiso 1 1 calc R U . . .
C13 C 0.3510(3) 1.0244(3) 0.2809(4) 0.0746(17) Uani 1 1 d . . . . .
H13A H 0.3528 1.0638 0.3131 0.112 Uiso 1 1 calc R U . . .
H13B H 0.3205 1.0275 0.2435 0.112 Uiso 1 1 calc R U . . .
H13C H 0.3851 1.0191 0.2513 0.112 Uiso 1 1 calc R U . . .
C14 C 0.38664(18) 0.9346(2) 0.6292(3) 0.0450(10) Uani 1 1 d D . . . .
H14 H 0.3461 0.9306 0.6284 0.054 Uiso 0.41(3) 1 calc R U P A 1
H14A H 0.3511 0.9111 0.6284 0.054 Uiso 0.59(3) 1 calc R U P A 2
C17 C 0.19882(15) 0.70166(19) 0.4240(2) 0.0358(8) Uani 1 1 d . . . . .
C18 C 0.16585(16) 0.6493(2) 0.4521(3) 0.0391(9) Uani 1 1 d . . . . .
C19 C 0.16558(19) 0.5899(2) 0.4134(3) 0.0500(11) Uani 1 1 d . . . . .
H19 H 0.1436 0.5560 0.4339 0.060 Uiso 1 1 calc R U . . .
C20 C 0.1967(2) 0.5788(3) 0.3453(3) 0.0594(13) Uani 1 1 d . . . . .
H20 H 0.1967 0.5377 0.3201 0.071 Uiso 1 1 calc R U . . .
C21 C 0.2270(2) 0.6285(3) 0.3159(3) 0.0530(12) Uani 1 1 d . . . . .
H21 H 0.2476 0.6216 0.2688 0.064 Uiso 1 1 calc R U . . .
C22 C 0.22906(17) 0.6892(2) 0.3521(3) 0.0437(10) Uani 1 1 d . . . . .
C23 C 0.12790(16) 0.6595(2) 0.5222(3) 0.0409(9) Uani 1 1 d . . . . .
H23 H 0.1441 0.6938 0.5569 0.049 Uiso 1 1 calc R U . . .
C24 C 0.07279(15) 0.6839(2) 0.4926(4) 0.0495(11) Uani 1 1 d . . . . .
H24A H 0.0782 0.7225 0.4597 0.074 Uiso 1 1 calc R U . . .
H24B H 0.0497 0.6947 0.5382 0.074 Uiso 1 1 calc R U . . .
H24C H 0.0552 0.6501 0.4609 0.074 Uiso 1 1 calc R U . . .
C25 C 0.11880(19) 0.5990(2) 0.5738(3) 0.0513(11) Uani 1 1 d . . . . .
H25A H 0.0996 0.6111 0.6226 0.077 Uiso 1 1 calc R U . . .
H25B H 0.1541 0.5798 0.5874 0.077 Uiso 1 1 calc R U . . .
H25C H 0.0970 0.5675 0.5441 0.077 Uiso 1 1 calc R U . . .
C26 C 0.26255(17) 0.7420(3) 0.3126(3) 0.0460(10) Uani 1 1 d . . . . .
H26 H 0.2592 0.7821 0.3455 0.055 Uiso 1 1 calc R U . . .
C27 C 0.2425(3) 0.7574(4) 0.2285(4) 0.081(2) Uani 1 1 d . . . . .
H27A H 0.2053 0.7743 0.2311 0.122 Uiso 1 1 calc R U . . .
H27B H 0.2430 0.7180 0.1963 0.122 Uiso 1 1 calc R U . . .
H27C H 0.2664 0.7899 0.2043 0.122 Uiso 1 1 calc R U . . .
C28 C 0.3228(2) 0.7228(4) 0.3102(4) 0.0745(17) Uani 1 1 d . . . . .
H28A H 0.3440 0.7573 0.2849 0.112 Uiso 1 1 calc R U . . .
H28B H 0.3269 0.6827 0.2796 0.112 Uiso 1 1 calc R U . . .
H28C H 0.3361 0.7160 0.3646 0.112 Uiso 1 1 calc R U . . .
C29 C 0.25784(17) 0.6455(2) 0.6612(3) 0.0454(10) Uani 1 1 d . . . . .
H29A H 0.2303 0.6526 0.6200 0.068 Uiso 1 1 calc R U . . .
H29C H 0.2407 0.6476 0.7137 0.068 Uiso 1 1 calc R U . . .
H29B H 0.2745 0.6029 0.6538 0.068 Uiso 1 1 calc R U . . .
C30 C 0.27224(18) 0.7871(2) 0.6702(3) 0.0429(9) Uani 1 1 d . . . . .
H30A H 0.2966 0.8243 0.6639 0.064 Uiso 1 1 calc R U . . .
H30C H 0.2570 0.7872 0.7241 0.064 Uiso 1 1 calc R U . . .
H30B H 0.2426 0.7899 0.6313 0.064 Uiso 1 1 calc R U . . .
C31 C 0.3567(2) 0.7030(3) 0.7434(3) 0.0511(11) Uani 1 1 d . . . . .
H31A H 0.3766 0.6620 0.7417 0.077 Uiso 1 1 calc R U . . .
H31B H 0.3343 0.7047 0.7916 0.077 Uiso 1 1 calc R U . . .
H31C H 0.3827 0.7390 0.7439 0.077 Uiso 1 1 calc R U . . .
C32 C 0.41912(17) 0.6309(2) 0.4661(3) 0.0466(10) Uani 1 1 d . . . . .
H32A H 0.4124 0.5912 0.4963 0.070 Uiso 1 1 calc R U . . .
H32C H 0.4569 0.6312 0.4471 0.070 Uiso 1 1 calc R U . . .
H32B H 0.3943 0.6328 0.4204 0.070 Uiso 1 1 calc R U . . .
C33 C 0.42618(16) 0.7745(2) 0.4679(2) 0.0391(8) Uani 1 1 d . . . . .
H33A H 0.4039 0.7742 0.4196 0.059 Uiso 1 1 calc R U . . .
H33B H 0.4648 0.7715 0.4534 0.059 Uiso 1 1 calc R U . . .
H33C H 0.4198 0.8147 0.4973 0.059 Uiso 1 1 calc R U . . .
C34 C 0.46100(16) 0.6981(2) 0.6112(3) 0.0439(10) Uani 1 1 d . . . . .
H34A H 0.4599 0.7370 0.6443 0.066 Uiso 1 1 calc R U . . .
H34B H 0.4969 0.6943 0.5861 0.066 Uiso 1 1 calc R U . . .
H34C H 0.4543 0.6600 0.6445 0.066 Uiso 1 1 calc R U . . .
C35 C 0.5190(2) 0.5118(2) 0.5700(3) 0.0543(12) Uani 1 1 d . . . . .
H35A H 0.5148 0.4930 0.6231 0.082 Uiso 1 1 calc R U . . .
H35B H 0.4991 0.5529 0.5673 0.082 Uiso 1 1 calc R U . . .
H35C H 0.5577 0.5196 0.5593 0.082 Uiso 1 1 calc R U . . .
C36 C 0.5138(2) 0.4844(3) 0.3942(3) 0.0590(13) Uani 1 1 d . . . . .
H36A H 0.5530 0.4927 0.3954 0.089 Uiso 1 1 calc R U . . .
H36B H 0.4944 0.5245 0.3811 0.089 Uiso 1 1 calc R U . . .
H36C H 0.5058 0.4516 0.3538 0.089 Uiso 1 1 calc R U . . .
C37 C 0.6005(3) 0.3633(3) 0.6316(4) 0.086(2) Uani 1 1 d . . . . .
H37A H 0.6208 0.4031 0.6209 0.129 Uiso 1 1 calc R U . . .
H37B H 0.6254 0.3305 0.6528 0.129 Uiso 1 1 calc R U . . .
H37C H 0.5719 0.3721 0.6707 0.129 Uiso 1 1 calc R U . . .
C38 C 0.6217(2) 0.3400(3) 0.4574(5) 0.078(2) Uani 1 1 d . . . . .
H38A H 0.6075 0.3204 0.4086 0.117 Uiso 1 1 calc R U . . .
H38B H 0.6549 0.3175 0.4737 0.117 Uiso 1 1 calc R U . . .
H38C H 0.6299 0.3857 0.4476 0.117 Uiso 1 1 calc R U . . .
C39 C 0.37292(14) 0.44920(15) 0.5069(3) 0.0316(7) Uani 1 1 d . . . . .
C40 C 0.33576(17) 0.4484(2) 0.4409(3) 0.0393(9) Uani 1 1 d . . . . .
C41 C 0.28000(19) 0.4540(2) 0.4543(4) 0.0535(12) Uani 1 1 d . . . . .
H41 H 0.2558 0.4513 0.4103 0.064 Uiso 1 1 calc R U . . .
C42 C 0.25842(18) 0.4632(2) 0.5299(4) 0.0543(13) Uani 1 1 d . . . . .
H42 H 0.2202 0.4655 0.5380 0.065 Uiso 1 1 calc R U . . .
C43 C 0.29426(19) 0.4691(2) 0.5933(3) 0.0459(10) Uani 1 1 d . . . . .
H43 H 0.2802 0.4774 0.6449 0.055 Uiso 1 1 calc R U . . .
C44 C 0.35038(17) 0.46322(19) 0.5832(2) 0.0354(8) Uani 1 1 d . . . . .
C45 C 0.3575(2) 0.4391(2) 0.3572(3) 0.0521(12) Uani 1 1 d . . . . .
H45 H 0.3960 0.4239 0.3621 0.062 Uiso 1 1 calc R U . . .
C46 C 0.3584(3) 0.5022(3) 0.3106(4) 0.0772(19) Uani 1 1 d . . . . .
H46A H 0.3214 0.5195 0.3067 0.116 Uiso 1 1 calc R U . . .
H46B H 0.3727 0.4943 0.2571 0.116 Uiso 1 1 calc R U . . .
H46C H 0.3818 0.5335 0.3381 0.116 Uiso 1 1 calc R U . . .
C47 C 0.3268(4) 0.3887(3) 0.3099(4) 0.092(3) Uani 1 1 d . . . . .
H47A H 0.3274 0.3474 0.3385 0.138 Uiso 1 1 calc R U . . .
H47B H 0.3441 0.3833 0.2577 0.138 Uiso 1 1 calc R U . . .
H47C H 0.2890 0.4027 0.3026 0.138 Uiso 1 1 calc R U . . .
C48 C 0.3878(2) 0.4681(2) 0.6551(3) 0.0471(10) Uani 1 1 d D . . . .
H48 H 0.4201 0.4937 0.6373 0.057 Uiso 0.43(4) 1 calc R U P B 1
H48A H 0.4258 0.4723 0.6342 0.057 Uiso 0.57(4) 1 calc R U P B 2
C51 C 0.53676(16) 0.20473(18) 0.5801(2) 0.0348(8) Uani 1 1 d . . . . .
C52 C 0.57013(16) 0.1544(2) 0.5456(3) 0.0410(9) Uani 1 1 d . . . . .
C53 C 0.56881(19) 0.0922(2) 0.5760(3) 0.0496(11) Uani 1 1 d . . . . .
H53 H 0.5909 0.0599 0.5522 0.059 Uiso 1 1 calc R U . . .
C54 C 0.5363(2) 0.0758(2) 0.6399(3) 0.0558(12) Uani 1 1 d . . . . .
H54 H 0.5354 0.0326 0.6588 0.067 Uiso 1 1 calc R U . . .
C55 C 0.5052(2) 0.1231(3) 0.6760(3) 0.0543(12) Uani 1 1 d . . . . .
H55 H 0.4834 0.1120 0.7208 0.065 Uiso 1 1 calc R U . . .
C56 C 0.50497(18) 0.1867(2) 0.6483(3) 0.0418(9) Uani 1 1 d . . . . .
C57 C 0.61049(16) 0.1710(2) 0.4810(3) 0.0475(10) Uani 1 1 d . . . . .
H57 H 0.5961 0.2090 0.4509 0.057 Uiso 1 1 calc R U . . .
C58 C 0.6223(2) 0.1167(3) 0.4211(4) 0.0607(14) Uani 1 1 d . . . . .
H58A H 0.6441 0.1339 0.3771 0.091 Uiso 1 1 calc R U . . .
H58B H 0.5879 0.0996 0.4005 0.091 Uiso 1 1 calc R U . . .
H58C H 0.6425 0.0820 0.4477 0.091 Uiso 1 1 calc R U . . .
C59 C 0.66464(18) 0.1909(3) 0.5202(4) 0.0656(17) Uani 1 1 d . . . . .
H59A H 0.6804 0.1537 0.5481 0.098 Uiso 1 1 calc R U . . .
H59B H 0.6580 0.2259 0.5584 0.098 Uiso 1 1 calc R U . . .
H59C H 0.6901 0.2059 0.4792 0.098 Uiso 1 1 calc R U . . .
C60 C 0.4742(2) 0.2376(3) 0.6955(3) 0.0480(10) Uani 1 1 d . . . . .
H60 H 0.4722 0.2777 0.6625 0.058 Uiso 1 1 calc R U . . .
C61 C 0.4160(2) 0.2182(3) 0.7175(5) 0.0761(18) Uani 1 1 d . . . . .
H61A H 0.3957 0.2076 0.6691 0.114 Uiso 1 1 calc R U . . .
H61B H 0.3981 0.2542 0.7450 0.114 Uiso 1 1 calc R U . . .
H61C H 0.4170 0.1804 0.7526 0.114 Uiso 1 1 calc R U . . .
C62 C 0.5050(2) 0.2537(4) 0.7714(4) 0.0735(18) Uani 1 1 d . . . . .
H62A H 0.5066 0.2154 0.8055 0.110 Uiso 1 1 calc R U . . .
H62B H 0.4862 0.2886 0.7996 0.110 Uiso 1 1 calc R U . . .
H62C H 0.5420 0.2676 0.7580 0.110 Uiso 1 1 calc R U . . .
C63 C 0.31742(16) 0.27847(19) 0.5347(2) 0.0372(8) Uani 1 1 d . . . . .
H63A H 0.3437 0.2803 0.5785 0.056 Uiso 1 1 calc R U . . .
H63B H 0.2806 0.2732 0.5563 0.056 Uiso 1 1 calc R U . . .
H63C H 0.3193 0.3186 0.5039 0.056 Uiso 1 1 calc R U . . .
C64 C 0.32234(17) 0.1339(2) 0.5319(3) 0.0435(9) Uani 1 1 d . . . . .
H64A H 0.3295 0.0948 0.5008 0.065 Uiso 1 1 calc R U . . .
H64C H 0.2845 0.1336 0.5504 0.065 Uiso 1 1 calc R U . . .
H64B H 0.3469 0.1353 0.5778 0.065 Uiso 1 1 calc R U . . .
C65 C 0.27948(17) 0.2038(3) 0.3900(3) 0.0474(10) Uani 1 1 d . . . . .
H65A H 0.2795 0.2440 0.3592 0.071 Uiso 1 1 calc R U . . .
H65B H 0.2440 0.1983 0.4158 0.071 Uiso 1 1 calc R U . . .
H65C H 0.2863 0.1671 0.3544 0.071 Uiso 1 1 calc R U . . .
C66 C 0.4728(2) 0.2908(2) 0.3344(3) 0.0521(12) Uani 1 1 d . . . . .
H66A H 0.4502 0.3292 0.3432 0.078 Uiso 1 1 calc R U . . .
H66C H 0.4882 0.2923 0.2807 0.078 Uiso 1 1 calc R U . . .
H66B H 0.5023 0.2898 0.3736 0.078 Uiso 1 1 calc R U . . .
C67 C 0.4794(2) 0.1474(3) 0.3332(3) 0.0594(14) Uani 1 1 d . . . . .
H67A H 0.5055 0.1483 0.3772 0.089 Uiso 1 1 calc R U . . .
H67C H 0.4988 0.1526 0.2827 0.089 Uiso 1 1 calc R U . . .
H67B H 0.4599 0.1061 0.3333 0.089 Uiso 1 1 calc R U . . .
C68 C 0.3840(2) 0.2137(2) 0.2557(3) 0.0475(10) Uani 1 1 d . . . . .
H68A H 0.3621 0.1741 0.2562 0.071 Uiso 1 1 calc R U . . .
H68B H 0.4065 0.2147 0.2075 0.071 Uiso 1 1 calc R U . . .
H68C H 0.3599 0.2514 0.2564 0.071 Uiso 1 1 calc R U . . .
C15A C 0.4082(6) 0.8726(6) 0.6663(8) 0.049(3) Uani 0.59(3) 1 d D U P A 1
H15A H 0.4481 0.8735 0.6667 0.073 Uiso 0.59(3) 1 calc R U P A 1
H15B H 0.3956 0.8354 0.6352 0.073 Uiso 0.59(3) 1 calc R U P A 1
H15C H 0.3947 0.8689 0.7210 0.073 Uiso 0.59(3) 1 calc R U P A 1
C16A C 0.4000(8) 0.9909(6) 0.6862(9) 0.056(3) Uani 0.59(3) 1 d D U P A 1
H16A H 0.3821 0.9835 0.7375 0.085 Uiso 0.59(3) 1 calc R U P A 1
H16B H 0.3868 1.0315 0.6633 0.085 Uiso 0.59(3) 1 calc R U P A 1
H16C H 0.4394 0.9934 0.6941 0.085 Uiso 0.59(3) 1 calc R U P A 1
C49A C 0.3635(10) 0.5050(12) 0.7261(9) 0.073(5) Uani 0.57(4) 1 d D U P B 1
H49A H 0.3926 0.5161 0.7636 0.109 Uiso 0.57(4) 1 calc R U P B 1
H49B H 0.3365 0.4777 0.7529 0.109 Uiso 0.57(4) 1 calc R U P B 1
H49C H 0.3459 0.5446 0.7071 0.109 Uiso 0.57(4) 1 calc R U P B 1
C50A C 0.4099(10) 0.4055(8) 0.6870(12) 0.068(5) Uani 0.57(4) 1 d D U P B 1
H50A H 0.4377 0.3888 0.6506 0.102 Uiso 0.57(4) 1 calc R U P B 1
H50B H 0.3802 0.3740 0.6916 0.102 Uiso 0.57(4) 1 calc R U P B 1
H50C H 0.4261 0.4129 0.7395 0.102 Uiso 0.57(4) 1 calc R U P B 1
C15B C 0.4294(12) 0.8906(14) 0.6679(11) 0.065(6) Uani 0.41(3) 1 d D U P A 2
H15D H 0.4631 0.9149 0.6763 0.097 Uiso 0.41(3) 1 calc R U P A 2
H15E H 0.4367 0.8537 0.6329 0.097 Uiso 0.41(3) 1 calc R U P A 2
H15F H 0.4157 0.8749 0.7191 0.097 Uiso 0.41(3) 1 calc R U P A 2
C16B C 0.3782(13) 0.9979(8) 0.6687(14) 0.073(6) Uani 0.41(3) 1 d D U P A 2
H16D H 0.3672 0.9909 0.7241 0.109 Uiso 0.41(3) 1 calc R U P A 2
H16E H 0.3496 1.0219 0.6408 0.109 Uiso 0.41(3) 1 calc R U P A 2
H16F H 0.4121 1.0228 0.6674 0.109 Uiso 0.41(3) 1 calc R U P A 2
C49B C 0.3768(13) 0.5273(12) 0.7053(18) 0.074(6) Uani 0.43(4) 1 d D U P B 2
H49D H 0.3427 0.5214 0.7346 0.111 Uiso 0.43(4) 1 calc R U P B 2
H49E H 0.3738 0.5653 0.6707 0.111 Uiso 0.43(4) 1 calc R U P B 2
H49F H 0.4068 0.5336 0.7429 0.111 Uiso 0.43(4) 1 calc R U P B 2
C50B C 0.3845(18) 0.4037(12) 0.697(2) 0.090(8) Uani 0.43(4) 1 d D U P B 2
H50D H 0.4102 0.4032 0.7418 0.135 Uiso 0.43(4) 1 calc R U P B 2
H50E H 0.3937 0.3690 0.6599 0.135 Uiso 0.43(4) 1 calc R U P B 2
H50F H 0.3474 0.3972 0.7173 0.135 Uiso 0.43(4) 1 calc R U P B 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'
K K 0.3868 1.0657 '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'
O O 0.0492 0.0322 '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
_geom_angle_publ_flag
N1 Sr1 O1 60.85(9) . . ?
N1 Sr1 N2 119.77(10) . . ?
N1 Sr1 N3 135.25(10) . . ?
N2 Sr1 O1 61.29(9) . . ?
N3 Sr1 O1 139.95(10) . . ?
N3 Sr1 N2 100.39(10) . . ?
O2 Sr2 N4 60.84(9) . . ?
O2 Sr2 N5 61.01(10) . . ?
O2 Sr2 N6 143.61(10) . . ?
N5 Sr2 N4 120.36(10) . . ?
N5 Sr2 N6 101.81(10) . . ?
N6 Sr2 N4 133.49(10) . . ?
N3 K1 C17 86.62(9) . . ?
N3 K1 C18 103.93(10) . . ?
N3 K1 C19 128.09(10) . . ?
N3 K1 C20 136.35(12) . . ?
N3 K1 C21 117.21(12) . . ?
N3 K1 C22 94.09(10) . . ?
N3 K1 C40 132.90(10) . . ?
N3 K1 C41 151.84(11) . . ?
N3 K1 C42 137.07(13) . . ?
N3 K1 C43 112.98(11) . . ?
C17 K1 C18 25.31(10) . . ?
C17 K1 C19 43.93(11) . . ?
C17 K1 C20 51.55(11) . . ?
C17 K1 C21 44.12(11) . . ?
C17 K1 C22 25.52(11) . . ?
C17 K1 C40 138.27(10) . . ?
C17 K1 C43 136.71(11) . . ?
C18 K1 C19 24.30(11) . . ?
C18 K1 C20 43.12(11) . . ?
C18 K1 C21 49.72(12) . . ?
C18 K1 C40 123.07(10) . . ?
C19 K1 C20 24.19(13) . . ?
C19 K1 C40 99.00(11) . . ?
C20 K1 C40 86.76(11) . . ?
C21 K1 C19 41.84(13) . . ?
C21 K1 C20 23.66(14) . . ?
C21 K1 C40 97.14(11) . . ?
C22 K1 C18 43.54(11) . . ?
C22 K1 C19 49.84(13) . . ?
C22 K1 C20 42.99(13) . . ?
C22 K1 C21 24.52(12) . . ?
C22 K1 C40 121.03(11) . . ?
C41 K1 C17 121.06(11) . . ?
C41 K1 C18 100.94(11) . . ?
C41 K1 C19 77.94(12) . . ?
C41 K1 C20 71.73(13) . . ?
C41 K1 C21 89.05(14) . . ?
C41 K1 C22 113.15(13) . . ?
C41 K1 C40 24.04(12) . . ?
C41 K1 C43 43.87(14) . . ?
C42 K1 C17 119.64(12) . . ?
C42 K1 C18 94.69(12) . . ?
C42 K1 C19 77.47(13) . . ?
C42 K1 C20 82.19(15) . . ?
C42 K1 C21 104.42(15) . . ?
C42 K1 C22 124.64(13) . . ?
C42 K1 C40 43.84(12) . . ?
C42 K1 C41 26.17(15) . . ?
C42 K1 C43 25.04(13) . . ?
C43 K1 C18 111.87(12) . . ?
C43 K1 C19 99.73(13) . . ?
C43 K1 C20 107.18(14) . . ?
C43 K1 C21 129.36(14) . . ?
C43 K1 C22 148.99(12) . . ?
C43 K1 C40 49.25(11) . . ?
N6 K2 C7 112.05(11) . 1_545 ?
N6 K2 C8 134.77(13) . 1_545 ?
N6 K2 C9 152.07(11) . 1_545 ?
N6 K2 C10 135.05(9) . 1_545 ?
N6 K2 C51 84.87(9) . . ?
N6 K2 C52 101.23(10) . . ?
N6 K2 C53 125.75(11) . . ?
N6 K2 C54 135.80(11) . . ?
N6 K2 C55 116.46(12) . . ?
N6 K2 C56 92.94(10) . . ?
C7 K2 C10 48.32(11) 1_545 1_545 ?
C8 K2 C7 24.30(13) 1_545 1_545 ?
C8 K2 C9 26.06(14) 1_545 1_545 ?
C8 K2 C10 43.41(11) 1_545 1_545 ?
C8 K2 C51 123.20(11) 1_545 . ?
C8 K2 C52 98.26(11) 1_545 . ?
C8 K2 C53 80.45(13) 1_545 . ?
C8 K2 C54 84.46(14) 1_545 . ?
C8 K2 C55 107.53(15) 1_545 . ?
C8 K2 C56 128.12(13) 1_545 . ?
C9 K2 C7 43.09(13) 1_545 1_545 ?
C9 K2 C10 23.87(10) 1_545 1_545 ?
C9 K2 C51 122.26(11) 1_545 . ?
C9 K2 C52 102.48(11) 1_545 . ?
C9 K2 C53 79.04(12) 1_545 . ?
C9 K2 C54 72.13(13) 1_545 . ?
C9 K2 C55 90.12(13) 1_545 . ?
C9 K2 C56 114.45(12) 1_545 . ?
C51 K2 C7 141.10(11) . 1_545 ?
C51 K2 C10 137.64(10) . 1_545 ?
C52 K2 C7 116.04(11) . 1_545 ?
C52 K2 C10 123.64(10) . 1_545 ?
C52 K2 C51 25.37(10) . . ?
C53 K2 C7 102.71(12) . 1_545 ?
C53 K2 C10 99.18(11) . 1_545 ?
C53 K2 C51 44.25(11) . . ?
C53 K2 C52 24.56(11) . . ?
C53 K2 C56 50.73(12) . . ?
C54 K2 C7 108.75(13) . 1_545 ?
C54 K2 C10 85.72(12) . 1_545 ?
C54 K2 C51 52.10(11) . . ?
C54 K2 C52 43.88(13) . . ?
C54 K2 C53 24.88(14) . . ?
C54 K2 C55 24.96(14) . . ?
C54 K2 C56 44.04(12) . . ?
C55 K2 C7 131.32(13) . 1_545 ?
C55 K2 C10 96.02(12) . 1_545 ?
C55 K2 C51 44.35(12) . . ?
C55 K2 C52 50.81(13) . . ?
C55 K2 C53 43.47(14) . . ?
C55 K2 C56 24.82(12) . . ?
C56 K2 C7 152.25(11) . 1_545 ?
C56 K2 C10 120.22(11) . 1_545 ?
C56 K2 C51 25.20(11) . . ?
C56 K2 C52 43.78(12) . . ?
O1 Si1 N1 100.86(14) . . ?
O1 Si1 C1 106.9(2) . . ?
O1 Si1 C2 106.5(2) . . ?
N1 Si1 C1 119.3(2) . . ?
N1 Si1 C2 115.4(2) . . ?
C2 Si1 C1 106.6(3) . . ?
O1 Si2 N2 101.28(14) . . ?
O1 Si2 C3 109.2(2) . . ?
O1 Si2 C4 102.91(19) . . ?
N2 Si2 C3 113.7(2) . . ?
N2 Si2 C4 120.0(2) . . ?
C3 Si2 C4 108.5(2) . . ?
N3 Si3 C29 111.60(19) . . ?
N3 Si3 C30 110.78(18) . . ?
N3 Si3 C31 118.00(19) . . ?
C29 Si3 C30 103.0(2) . . ?
C31 Si3 C29 108.0(2) . . ?
C31 Si3 C30 104.3(2) . . ?
N3 Si4 C32 112.88(18) . . ?
N3 Si4 C33 110.41(17) . . ?
N3 Si4 C34 117.25(18) . . ?
C33 Si4 C32 104.0(2) . . ?
C34 Si4 C32 105.1(2) . . ?
C34 Si4 C33 106.2(2) . . ?
O2 Si5 N4 100.63(14) . . ?
O2 Si5 C35 106.5(2) . . ?
O2 Si5 C36 106.4(2) . . ?
N4 Si5 C35 120.3(2) . . ?
N4 Si5 C36 114.6(2) . . ?
C36 Si5 C35 107.2(3) . . ?
O2 Si6 N5 100.79(15) . . ?
O2 Si6 C37 109.6(3) . . ?
O2 Si6 C38 102.5(2) . . ?
N5 Si6 C37 114.4(3) . . ?
N5 Si6 C38 120.2(2) . . ?
C37 Si6 C38 108.0(4) . . ?
N6 Si7 C63 109.49(16) . . ?
N6 Si7 C64 112.99(17) . . ?
N6 Si7 C65 117.17(18) . . ?
C64 Si7 C63 104.6(2) . . ?
C65 Si7 C63 106.8(2) . . ?
C65 Si7 C64 104.9(2) . . ?
N6 Si8 C66 110.61(18) . . ?
N6 Si8 C67 111.8(2) . . ?
N6 Si8 C68 117.52(19) . . ?
C67 Si8 C66 103.6(3) . . ?
C68 Si8 C66 105.6(2) . . ?
C68 Si8 C67 106.6(2) . . ?
Si1 O1 Sr1 98.94(11) . . ?
Si1 O1 Si2 158.71(18) . . ?
Si2 O1 Sr1 98.92(12) . . ?
Si5 O2 Sr2 99.68(11) . . ?
Si6 O2 Sr2 99.88(12) . . ?
Si6 O2 Si5 158.41(19) . . ?
Si1 N1 Sr1 99.08(13) . . ?
C5 N1 Sr1 116.1(2) . . ?
C5 N1 Si1 144.7(3) . . ?
Si2 N2 Sr1 98.38(15) . . ?
C17 N2 Sr1 121.8(2) . . ?
C17 N2 Si2 138.0(3) . . ?
Sr1 N3 K1 102.63(10) . . ?
Si3 N3 Sr1 103.66(14) . . ?
Si3 N3 K1 102.55(14) . . ?
Si4 N3 Sr1 108.60(15) . . ?
Si4 N3 K1 102.15(14) . . ?
Si4 N3 Si3 133.40(19) . . ?
Si5 N4 Sr2 98.38(13) . . ?
C39 N4 Sr2 113.3(2) . . ?
C39 N4 Si5 147.6(3) . . ?
Si6 N5 Sr2 98.32(15) . . ?
C51 N5 Sr2 120.6(2) . . ?
C51 N5 Si6 140.2(3) . . ?
Sr2 N6 K2 105.68(10) . . ?
Si7 N6 Sr2 107.08(14) . . ?
Si7 N6 K2 100.96(13) . . ?
Si7 N6 Si8 134.79(19) . . ?
Si8 N6 Sr2 103.14(14) . . ?
Si8 N6 K2 102.30(13) . . ?
Si1 C1 H1A 109.5 . . ?
Si1 C1 H1B 109.5 . . ?
Si1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si2 C3 H3A 109.5 . . ?
Si2 C3 H3B 109.5 . . ?
Si2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si2 C4 H4A 109.5 . . ?
Si2 C4 H4B 109.5 . . ?
Si2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C5 C6 121.6(4) . . ?
N1 C5 C10 121.0(4) . . ?
C10 C5 C6 117.0(4) . . ?
C5 C6 C11 119.3(4) . . ?
C7 C6 C5 120.3(4) . . ?
C7 C6 C11 120.3(4) . . ?
K2 C7 H7 111.6 1_565 . ?
C6 C7 K2 93.3(3) . 1_565 ?
C6 C7 H7 119.1 . . ?
C6 C7 C8 121.8(4) . . ?
C8 C7 K2 65.5(3) . 1_565 ?
C8 C7 H7 119.1 . . ?
K2 C8 H8 102.0 1_565 . ?
C7 C8 K2 90.2(3) . 1_565 ?
C7 C8 H8 120.7 . . ?
C9 C8 K2 77.5(3) . 1_565 ?
C9 C8 C7 118.6(4) . . ?
C9 C8 H8 120.7 . . ?
K2 C9 H9 101.1 1_565 . ?
C8 C9 K2 76.4(3) . 1_565 ?
C8 C9 H9 119.0 . . ?
C8 C9 C10 122.0(4) . . ?
C10 C9 K2 92.7(2) . 1_565 ?
C10 C9 H9 119.0 . . ?
C5 C10 K2 94.0(2) . 1_565 ?
C5 C10 C14 119.9(4) . . ?
C9 C10 K2 63.4(2) . 1_565 ?
C9 C10 C5 119.9(4) . . ?
C9 C10 C14 120.1(4) . . ?
C14 C10 K2 113.8(3) . 1_565 ?
C6 C11 H11 107.4 . . ?
C6 C11 C12 111.1(5) . . ?
C6 C11 C13 113.3(5) . . ?
C12 C11 H11 107.4 . . ?
C12 C11 C13 109.9(5) . . ?
C13 C11 H11 107.4 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14 106.4 . . ?
C10 C14 H14A 108.2 . . ?
C10 C14 C15A 115.1(6) . . ?
C10 C14 C16A 114.0(6) . . ?
C10 C14 C15B 107.6(10) . . ?
C15A C14 H14 106.4 . . ?
C15A C14 C16A 107.9(7) . . ?
C16A C14 H14 106.4 . . ?
C15B C14 H14A 108.2 . . ?
C16B C14 C10 108.8(9) . . ?
C16B C14 H14A 108.2 . . ?
C16B C14 C15B 115.5(11) . . ?
N2 C17 K1 108.9(2) . . ?
N2 C17 C18 124.2(4) . . ?
N2 C17 C22 120.0(4) . . ?
C18 C17 K1 78.6(2) . . ?
C18 C17 C22 115.6(4) . . ?
C22 C17 K1 78.0(2) . . ?
C17 C18 K1 76.1(2) . . ?
C17 C18 C23 119.9(4) . . ?
C19 C18 K1 79.2(3) . . ?
C19 C18 C17 121.1(4) . . ?
C19 C18 C23 118.9(4) . . ?
C23 C18 K1 119.0(3) . . ?
K1 C19 H19 116.3 . . ?
C18 C19 K1 76.5(2) . . ?
C18 C19 H19 119.1 . . ?
C18 C19 C20 121.8(5) . . ?
C20 C19 K1 78.6(3) . . ?
C20 C19 H19 119.1 . . ?
K1 C20 H20 115.8 . . ?
C19 C20 K1 77.2(3) . . ?
C19 C20 H20 120.9 . . ?
C21 C20 K1 77.0(3) . . ?
C21 C20 C19 118.2(4) . . ?
C21 C20 H20 120.9 . . ?
K1 C21 H21 116.0 . . ?
C20 C21 K1 79.4(3) . . ?
C20 C21 H21 118.6 . . ?
C20 C21 C22 122.7(5) . . ?
C22 C21 K1 76.4(3) . . ?
C22 C21 H21 118.6 . . ?
C17 C22 K1 76.4(2) . . ?
C17 C22 C26 121.1(4) . . ?
C21 C22 K1 79.1(3) . . ?
C21 C22 C17 120.5(5) . . ?
C21 C22 C26 118.4(4) . . ?
C26 C22 K1 116.8(3) . . ?
C18 C23 H23 107.9 . . ?
C18 C23 C24 109.7(4) . . ?
C18 C23 C25 114.4(4) . . ?
C24 C23 H23 107.9 . . ?
C24 C23 C25 108.9(3) . . ?
C25 C23 H23 107.9 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C26 H26 108.1 . . ?
C22 C26 C27 112.3(4) . . ?
C22 C26 C28 110.3(5) . . ?
C27 C26 H26 108.1 . . ?
C27 C26 C28 109.9(5) . . ?
C28 C26 H26 108.1 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si3 C29 H29A 109.5 . . ?
Si3 C29 H29C 109.5 . . ?
Si3 C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29C C29 H29B 109.5 . . ?
Si3 C30 H30A 109.5 . . ?
Si3 C30 H30C 109.5 . . ?
Si3 C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30C C30 H30B 109.5 . . ?
Si3 C31 H31A 109.5 . . ?
Si3 C31 H31B 109.5 . . ?
Si3 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si4 C32 H32A 109.5 . . ?
Si4 C32 H32C 109.5 . . ?
Si4 C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32C C32 H32B 109.5 . . ?
Si4 C33 H33A 109.5 . . ?
Si4 C33 H33B 109.5 . . ?
Si4 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si4 C34 H34A 109.5 . . ?
Si4 C34 H34B 109.5 . . ?
Si4 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si5 C35 H35A 109.5 . . ?
Si5 C35 H35B 109.5 . . ?
Si5 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Si5 C36 H36A 109.5 . . ?
Si5 C36 H36B 109.5 . . ?
Si5 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Si6 C37 H37A 109.5 . . ?
Si6 C37 H37B 109.5 . . ?
Si6 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si6 C38 H38A 109.5 . . ?
Si6 C38 H38B 109.5 . . ?
Si6 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N4 C39 C40 121.2(4) . . ?
N4 C39 C44 121.7(4) . . ?
C44 C39 C40 116.8(3) . . ?
C39 C40 K1 91.3(2) . . ?
C39 C40 C45 119.6(4) . . ?
C41 C40 K1 64.7(3) . . ?
C41 C40 C39 119.8(4) . . ?
C41 C40 C45 120.5(4) . . ?
C45 C40 K1 115.7(3) . . ?
K1 C41 H41 104.1 . . ?
C40 C41 K1 91.3(3) . . ?
C40 C41 H41 118.8 . . ?
C42 C41 K1 75.1(3) . . ?
C42 C41 C40 122.3(4) . . ?
C42 C41 H41 118.8 . . ?
K1 C42 H42 104.5 . . ?
C41 C42 K1 78.7(3) . . ?
C41 C42 H42 120.9 . . ?
C43 C42 K1 86.5(3) . . ?
C43 C42 C41 118.2(4) . . ?
C43 C42 H42 120.9 . . ?
K1 C43 H43 110.4 . . ?
C42 C43 K1 68.4(3) . . ?
C42 C43 H43 119.1 . . ?
C42 C43 C44 121.8(4) . . ?
C44 C43 K1 91.7(3) . . ?
C44 C43 H43 119.1 . . ?
C39 C44 C48 119.5(4) . . ?
C43 C44 C39 120.7(4) . . ?
C43 C44 C48 119.7(4) . . ?
C40 C45 H45 107.3 . . ?
C40 C45 C46 111.9(4) . . ?
C46 C45 H45 107.3 . . ?
C47 C45 C40 113.6(5) . . ?
C47 C45 H45 107.3 . . ?
C47 C45 C46 109.1(5) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C44 C48 H48 106.1 . . ?
C44 C48 H48A 106.9 . . ?
C44 C48 C49A 114.5(8) . . ?
C49A C48 H48 106.1 . . ?
C50A C48 C44 116.4(10) . . ?
C50A C48 H48 106.1 . . ?
C50A C48 C49A 106.9(10) . . ?
C49B C48 C44 112.9(11) . . ?
C49B C48 H48A 106.9 . . ?
C50B C48 C44 106.3(12) . . ?
C50B C48 H48A 106.9 . . ?
C50B C48 C49B 116.3(15) . . ?
N5 C51 K2 113.4(2) . . ?
N5 C51 C52 123.2(4) . . ?
N5 C51 C56 120.6(4) . . ?
C52 C51 K2 76.5(2) . . ?
C56 C51 K2 76.4(2) . . ?
C56 C51 C52 116.1(4) . . ?
C51 C52 K2 78.1(2) . . ?
C51 C52 C57 119.8(4) . . ?
C53 C52 K2 75.2(2) . . ?
C53 C52 C51 120.5(4) . . ?
C53 C52 C57 119.5(4) . . ?
C57 C52 K2 122.6(3) . . ?
K2 C53 H53 115.1 . . ?
C52 C53 K2 80.2(2) . . ?
C52 C53 H53 119.0 . . ?
C54 C53 K2 76.0(3) . . ?
C54 C53 C52 121.9(5) . . ?
C54 C53 H53 119.0 . . ?
K2 C54 H54 112.2 . . ?
C53 C54 K2 79.2(3) . . ?
C53 C54 H54 120.4 . . ?
C53 C54 C55 119.2(5) . . ?
C55 C54 K2 78.8(3) . . ?
C55 C54 H54 120.4 . . ?
K2 C55 H55 114.6 . . ?
C54 C55 K2 76.3(3) . . ?
C54 C55 H55 119.3 . . ?
C54 C55 C56 121.5(5) . . ?
C56 C55 K2 80.3(3) . . ?
C56 C55 H55 119.3 . . ?
C51 C56 K2 78.4(2) . . ?
C51 C56 C60 120.4(4) . . ?
C55 C56 K2 74.9(3) . . ?
C55 C56 C51 120.6(4) . . ?
C55 C56 C60 118.7(5) . . ?
C60 C56 K2 122.1(3) . . ?
C52 C57 H57 108.1 . . ?
C52 C57 C58 115.5(4) . . ?
C52 C57 C59 108.6(4) . . ?
C58 C57 H57 108.1 . . ?
C58 C57 C59 108.2(4) . . ?
C59 C57 H57 108.1 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C56 C60 H60 108.0 . . ?
C56 C60 C61 114.1(5) . . ?
C61 C60 H60 108.0 . . ?
C62 C60 C56 110.0(4) . . ?
C62 C60 H60 108.0 . . ?
C62 C60 C61 108.7(5) . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C60 C62 H62A 109.5 . . ?
C60 C62 H62B 109.5 . . ?
C60 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
Si7 C63 H63A 109.5 . . ?
Si7 C63 H63B 109.5 . . ?
Si7 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
Si7 C64 H64A 109.5 . . ?
Si7 C64 H64C 109.5 . . ?
Si7 C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64C C64 H64B 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 . . ?
Si8 C66 H66A 109.5 . . ?
Si8 C66 H66C 109.5 . . ?
Si8 C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66C C66 H66B 109.5 . . ?
Si8 C67 H67A 109.5 . . ?
Si8 C67 H67C 109.5 . . ?
Si8 C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67C C67 H67B 109.5 . . ?
Si8 C68 H68A 109.5 . . ?
Si8 C68 H68B 109.5 . . ?
Si8 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C14 C15A H15A 109.5 . . ?
C14 C15A H15B 109.5 . . ?
C14 C15A H15C 109.5 . . ?
H15A C15A H15B 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 109.5 . . ?
C14 C16A H16A 109.5 . . ?
C14 C16A H16B 109.5 . . ?
C14 C16A H16C 109.5 . . ?
H16A C16A H16B 109.5 . . ?
H16A C16A H16C 109.5 . . ?
H16B C16A H16C 109.5 . . ?
C48 C49A H49A 109.5 . . ?
C48 C49A H49B 109.5 . . ?
C48 C49A H49C 109.5 . . ?
H49A C49A H49B 109.5 . . ?
H49A C49A H49C 109.5 . . ?
H49B C49A H49C 109.5 . . ?
C48 C50A H50A 109.5 . . ?
C48 C50A H50B 109.5 . . ?
C48 C50A H50C 109.5 . . ?
H50A C50A H50B 109.5 . . ?
H50A C50A H50C 109.5 . . ?
H50B C50A H50C 109.5 . . ?
C14 C15B H15D 109.5 . . ?
C14 C15B H15E 109.5 . . ?
C14 C15B H15F 109.5 . . ?
H15D C15B H15E 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
C14 C16B H16D 109.5 . . ?
C14 C16B H16E 109.5 . . ?
C14 C16B H16F 109.5 . . ?
H16D C16B H16E 109.5 . . ?
H16D C16B H16F 109.5 . . ?
H16E C16B H16F 109.5 . . ?
C48 C49B H49D 109.5 . . ?
C48 C49B H49E 109.5 . . ?
C48 C49B H49F 109.5 . . ?
H49D C49B H49E 109.5 . . ?
H49D C49B H49F 109.5 . . ?
H49E C49B H49F 109.5 . . ?
C48 C50B H50D 109.5 . . ?
C48 C50B H50E 109.5 . . ?
C48 C50B H50F 109.5 . . ?
H50D C50B H50E 109.5 . . ?
H50D C50B H50F 109.5 . . ?
H50E C50B H50F 109.5 . . ?
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
Sr1 O1 2.539(2) . ?
Sr1 N1 2.524(3) . ?
Sr1 N2 2.533(3) . ?
Sr1 N3 2.525(3) . ?
Sr2 O2 2.518(2) . ?
Sr2 N4 2.545(3) . ?
Sr2 N5 2.532(3) . ?
Sr2 N6 2.545(3) . ?
K1 N3 2.892(3) . ?
K1 C17 3.252(4) . ?
K1 C18 3.285(4) . ?
K1 C19 3.319(5) . ?
K1 C20 3.336(5) . ?
K1 C21 3.307(5) . ?
K1 C22 3.273(5) . ?
K1 C40 3.419(4) . ?
K1 C41 3.091(5) . ?
K1 C42 3.047(5) . ?
K1 C43 3.271(5) . ?
K2 N6 2.857(3) . ?
K2 C7 3.371(5) 1_545 ?
K2 C8 3.067(5) 1_545 ?
K2 C9 3.080(4) 1_545 ?
K2 C10 3.441(4) 1_545 ?
K2 C51 3.304(4) . ?
K2 C52 3.284(4) . ?
K2 C53 3.221(4) . ?
K2 C54 3.182(5) . ?
K2 C55 3.212(5) . ?
K2 C56 3.279(4) . ?
Si1 O1 1.656(3) . ?
Si1 N1 1.671(3) . ?
Si1 C1 1.877(5) . ?
Si1 C2 1.870(5) . ?
Si2 O1 1.658(3) . ?
Si2 N2 1.686(3) . ?
Si2 C3 1.865(5) . ?
Si2 C4 1.872(4) . ?
Si3 N3 1.693(3) . ?
Si3 C29 1.883(4) . ?
Si3 C30 1.894(4) . ?
Si3 C31 1.873(5) . ?
Si4 N3 1.690(3) . ?
Si4 C32 1.891(4) . ?
Si4 C33 1.885(4) . ?
Si4 C34 1.875(4) . ?
Si5 O2 1.662(3) . ?
Si5 N4 1.670(3) . ?
Si5 C35 1.872(5) . ?
Si5 C36 1.871(5) . ?
Si6 O2 1.645(3) . ?
Si6 N5 1.682(3) . ?
Si6 C37 1.852(6) . ?
Si6 C38 1.873(6) . ?
Si7 N6 1.685(3) . ?
Si7 C63 1.898(4) . ?
Si7 C64 1.887(4) . ?
Si7 C65 1.874(4) . ?
Si8 N6 1.689(3) . ?
Si8 C66 1.902(5) . ?
Si8 C67 1.880(5) . ?
Si8 C68 1.873(4) . ?
N1 C5 1.366(4) . ?
N2 C17 1.366(5) . ?
N4 C39 1.359(4) . ?
N5 C51 1.370(5) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.436(6) . ?
C5 C10 1.430(6) . ?
C6 C7 1.386(6) . ?
C6 C11 1.513(7) . ?
C7 K2 3.371(5) 1_565 ?
C7 H7 0.9500 . ?
C7 C8 1.387(7) . ?
C8 K2 3.067(5) 1_565 ?
C8 H8 0.9500 . ?
C8 C9 1.386(7) . ?
C9 K2 3.080(4) 1_565 ?
C9 H9 0.9500 . ?
C9 C10 1.394(6) . ?
C10 K2 3.441(4) 1_565 ?
C10 C14 1.520(6) . ?
C11 H11 1.0000 . ?
C11 C12 1.521(9) . ?
C11 C13 1.531(8) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14 1.0000 . ?
C14 H14A 1.0000 . ?
C14 C15A 1.522(11) . ?
C14 C16A 1.544(12) . ?
C14 C15B 1.535(15) . ?
C14 C16B 1.484(16) . ?
C17 C18 1.432(6) . ?
C17 C22 1.441(6) . ?
C18 C19 1.390(6) . ?
C18 C23 1.518(6) . ?
C19 H19 0.9500 . ?
C19 C20 1.395(8) . ?
C20 H20 0.9500 . ?
C20 C21 1.363(8) . ?
C21 H21 0.9500 . ?
C21 C22 1.398(7) . ?
C22 C26 1.520(7) . ?
C23 H23 1.0000 . ?
C23 C24 1.527(5) . ?
C23 C25 1.539(6) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26 1.0000 . ?
C26 C27 1.531(7) . ?
C26 C28 1.533(7) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29C 0.9800 . ?
C29 H29B 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30C 0.9800 . ?
C30 H30B 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32C 0.9800 . ?
C32 H32B 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.437(6) . ?
C39 C44 1.427(6) . ?
C40 C41 1.393(7) . ?
C40 C45 1.516(6) . ?
C41 H41 0.9500 . ?
C41 C42 1.390(8) . ?
C42 H42 0.9500 . ?
C42 C43 1.387(8) . ?
C43 H43 0.9500 . ?
C43 C44 1.394(6) . ?
C44 C48 1.521(6) . ?
C45 H45 1.0000 . ?
C45 C46 1.524(8) . ?
C45 C47 1.513(7) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48 1.0000 . ?
C48 H48A 1.0000 . ?
C48 C49A 1.539(11) . ?
C48 C50A 1.503(12) . ?
C48 C49B 1.512(17) . ?
C48 C50B 1.510(17) . ?
C51 C52 1.447(6) . ?
C51 C56 1.436(6) . ?
C52 C53 1.385(6) . ?
C52 C57 1.509(7) . ?
C53 H53 0.9500 . ?
C53 C54 1.380(8) . ?
C54 H54 0.9500 . ?
C54 C55 1.382(8) . ?
C55 H55 0.9500 . ?
C55 C56 1.396(7) . ?
C56 C60 1.522(7) . ?
C57 H57 1.0000 . ?
C57 C58 1.535(7) . ?
C57 C59 1.541(6) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60 1.0000 . ?
C60 C61 1.529(8) . ?
C60 C62 1.520(7) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64C 0.9800 . ?
C64 H64B 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66C 0.9800 . ?
C66 H66B 0.9800 . ?
C67 H67A 0.9800 . ?
C67 H67C 0.9800 . ?
C67 H67B 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C15A H15A 0.9800 . ?
C15A H15B 0.9800 . ?
C15A H15C 0.9800 . ?
C16A H16A 0.9800 . ?
C16A H16B 0.9800 . ?
C16A H16C 0.9800 . ?
C49A H49A 0.9800 . ?
C49A H49B 0.9800 . ?
C49A H49C 0.9800 . ?
C50A H50A 0.9800 . ?
C50A H50B 0.9800 . ?
C50A H50C 0.9800 . ?
C15B H15D 0.9800 . ?
C15B H15E 0.9800 . ?
C15B H15F 0.9800 . ?
C16B H16D 0.9800 . ?
C16B H16E 0.9800 . ?
C16B H16F 0.9800 . ?
C49B H49D 0.9800 . ?
C49B H49E 0.9800 . ?
C49B H49F 0.9800 . ?
C50B H50D 0.9800 . ?
C50B H50E 0.9800 . ?
C50B H50F 0.9800 . ?
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
Sr1 N1 C5 C6 92.1(4) . . . . ?
Sr1 N1 C5 C10 -80.1(4) . . . . ?
Sr1 N2 C17 K1 39.2(3) . . . . ?
Sr1 N2 C17 C18 128.1(3) . . . . ?
Sr1 N2 C17 C22 -47.6(5) . . . . ?
Sr2 N4 C39 C40 -84.2(4) . . . . ?
Sr2 N4 C39 C44 89.7(3) . . . . ?
Sr2 N5 C51 K2 32.7(4) . . . . ?
Sr2 N5 C51 C52 121.5(3) . . . . ?
Sr2 N5 C51 C56 -54.9(4) . . . . ?
K1 C17 C18 C19 -68.0(4) . . . . ?
K1 C17 C18 C23 115.7(3) . . . . ?
K1 C17 C22 C21 68.5(4) . . . . ?
K1 C17 C22 C26 -113.3(4) . . . . ?
K1 C18 C19 C20 -67.1(4) . . . . ?
K1 C18 C23 C24 178.4(2) . . . . ?
K1 C18 C23 C25 -59.0(4) . . . . ?
K1 C19 C20 C21 -67.4(5) . . . . ?
K1 C20 C21 C22 -66.1(4) . . . . ?
K1 C21 C22 C17 -67.0(4) . . . . ?
K1 C21 C22 C26 114.7(4) . . . . ?
K1 C22 C26 C27 151.8(4) . . . . ?
K1 C22 C26 C28 28.9(5) . . . . ?
K1 C40 C41 C42 -73.2(4) . . . . ?
K1 C40 C45 C46 3.8(6) . . . . ?
K1 C40 C45 C47 -120.3(5) . . . . ?
K1 C41 C42 C43 -79.8(4) . . . . ?
K1 C42 C43 C44 -78.0(4) . . . . ?
K1 C43 C44 C39 -67.1(4) . . . . ?
K1 C43 C44 C48 116.3(4) . . . . ?
K2 C7 C8 C9 75.9(4) 1_565 . . . ?
K2 C8 C9 C10 84.7(4) 1_565 . . . ?
K2 C9 C10 C5 78.6(4) 1_565 . . . ?
K2 C9 C10 C14 -103.4(4) 1_565 . . . ?
K2 C10 C14 C15A -135.0(7) 1_565 . . . ?
K2 C10 C14 C16A -9.5(9) 1_565 . . . ?
K2 C10 C14 C15B -110.3(14) 1_565 . . . ?
K2 C10 C14 C16B 15.6(15) 1_565 . . . ?
K2 C51 C52 C53 -64.7(4) . . . . ?
K2 C51 C52 C57 121.0(4) . . . . ?
K2 C51 C56 C55 64.5(4) . . . . ?
K2 C51 C56 C60 -120.6(4) . . . . ?
K2 C52 C53 C54 -66.6(4) . . . . ?
K2 C52 C57 C58 -55.8(5) . . . . ?
K2 C52 C57 C59 -177.6(3) . . . . ?
K2 C53 C54 C55 -70.5(4) . . . . ?
K2 C54 C55 C56 -69.3(4) . . . . ?
K2 C55 C56 C51 -66.3(4) . . . . ?
K2 C55 C56 C60 118.7(4) . . . . ?
K2 C56 C60 C61 40.3(5) . . . . ?
K2 C56 C60 C62 162.7(4) . . . . ?
Si1 N1 C5 C6 -83.2(6) . . . . ?
Si1 N1 C5 C10 104.6(6) . . . . ?
Si2 N2 C17 K1 -160.1(3) . . . . ?
Si2 N2 C17 C18 -71.2(6) . . . . ?
Si2 N2 C17 C22 113.1(4) . . . . ?
Si5 N4 C39 C40 108.0(6) . . . . ?
Si5 N4 C39 C44 -78.1(7) . . . . ?
Si6 N5 C51 K2 -161.0(3) . . . . ?
Si6 N5 C51 C52 -72.2(6) . . . . ?
Si6 N5 C51 C56 111.4(5) . . . . ?
O1 Si1 N1 Sr1 -4.63(19) . . . . ?
O1 Si1 N1 C5 171.1(5) . . . . ?
O1 Si2 N2 Sr1 3.27(17) . . . . ?
O1 Si2 N2 C17 -160.2(4) . . . . ?
O2 Si5 N4 Sr2 -6.00(19) . . . . ?
O2 Si5 N4 C39 162.7(6) . . . . ?
O2 Si6 N5 Sr2 0.29(18) . . . . ?
O2 Si6 N5 C51 -167.8(5) . . . . ?
N1 Si1 O1 Sr1 4.60(19) . . . . ?
N1 Si1 O1 Si2 -142.1(6) . . . . ?
N1 C5 C6 C7 -166.9(4) . . . . ?
N1 C5 C6 C11 9.5(6) . . . . ?
N1 C5 C10 K2 -132.2(3) . . . 1_565 ?
N1 C5 C10 C9 166.3(4) . . . . ?
N1 C5 C10 C14 -11.7(6) . . . . ?
N2 Si2 O1 Sr1 -3.27(17) . . . . ?
N2 Si2 O1 Si1 143.5(6) . . . . ?
N2 C17 C18 K1 -105.2(3) . . . . ?
N2 C17 C18 C19 -173.2(4) . . . . ?
N2 C17 C18 C23 10.4(6) . . . . ?
N2 C17 C22 K1 105.1(3) . . . . ?
N2 C17 C22 C21 173.5(4) . . . . ?
N2 C17 C22 C26 -8.2(6) . . . . ?
N4 Si5 O2 Sr2 6.09(19) . . . . ?
N4 Si5 O2 Si6 -148.6(6) . . . . ?
N4 C39 C40 K1 -131.4(3) . . . . ?
N4 C39 C40 C41 167.2(4) . . . . ?
N4 C39 C40 C45 -10.6(6) . . . . ?
N4 C39 C44 C43 -167.8(4) . . . . ?
N4 C39 C44 C48 8.8(5) . . . . ?
N5 Si6 O2 Sr2 -0.29(19) . . . . ?
N5 Si6 O2 Si5 154.4(6) . . . . ?
N5 C51 C52 K2 -109.3(3) . . . . ?
N5 C51 C52 C53 -174.0(4) . . . . ?
N5 C51 C52 C57 11.7(6) . . . . ?
N5 C51 C56 K2 109.3(3) . . . . ?
N5 C51 C56 C55 173.8(4) . . . . ?
N5 C51 C56 C60 -11.2(6) . . . . ?
C1 Si1 O1 Sr1 130.0(2) . . . . ?
C1 Si1 O1 Si2 -16.7(7) . . . . ?
C1 Si1 N1 Sr1 -121.2(2) . . . . ?
C1 Si1 N1 C5 54.5(6) . . . . ?
C2 Si1 O1 Sr1 -116.2(2) . . . . ?
C2 Si1 O1 Si2 97.0(6) . . . . ?
C2 Si1 N1 Sr1 109.7(2) . . . . ?
C2 Si1 N1 C5 -74.6(6) . . . . ?
C3 Si2 O1 Sr1 -123.5(2) . . . . ?
C3 Si2 O1 Si1 23.3(7) . . . . ?
C3 Si2 N2 Sr1 120.3(2) . . . . ?
C3 Si2 N2 C17 -43.2(5) . . . . ?
C4 Si2 O1 Sr1 121.45(18) . . . . ?
C4 Si2 O1 Si1 -91.8(6) . . . . ?
C4 Si2 N2 Sr1 -108.97(19) . . . . ?
C4 Si2 N2 C17 87.6(5) . . . . ?
C5 C6 C7 K2 -64.5(4) . . . 1_565 ?
C5 C6 C7 C8 -1.5(7) . . . . ?
C5 C6 C11 C12 -99.3(5) . . . . ?
C5 C6 C11 C13 136.5(5) . . . . ?
C5 C10 C14 C15A 115.0(8) . . . . ?
C5 C10 C14 C16A -119.5(9) . . . . ?
C5 C10 C14 C15B 139.7(14) . . . . ?
C5 C10 C14 C16B -94.5(15) . . . . ?
C6 C5 C10 K2 55.3(3) . . . 1_565 ?
C6 C5 C10 C9 -6.2(5) . . . . ?
C6 C5 C10 C14 175.8(4) . . . . ?
C6 C7 C8 K2 -77.9(4) . . . 1_565 ?
C6 C7 C8 C9 -2.0(7) . . . . ?
C7 C6 C11 C12 77.1(6) . . . . ?
C7 C6 C11 C13 -47.2(7) . . . . ?
C7 C8 C9 K2 -83.3(4) . . . 1_565 ?
C7 C8 C9 C10 1.3(7) . . . . ?
C8 C9 C10 K2 -75.7(4) . . . 1_565 ?
C8 C9 C10 C5 2.9(6) . . . . ?
C8 C9 C10 C14 -179.1(4) . . . . ?
C9 C10 C14 C15A -63.0(8) . . . . ?
C9 C10 C14 C16A 62.5(10) . . . . ?
C9 C10 C14 C15B -38.3(15) . . . . ?
C9 C10 C14 C16B 87.5(15) . . . . ?
C10 C5 C6 C7 5.6(6) . . . . ?
C10 C5 C6 C11 -178.0(4) . . . . ?
C11 C6 C7 K2 119.1(4) . . . 1_565 ?
C11 C6 C7 C8 -177.9(5) . . . . ?
C17 C18 C19 K1 66.3(3) . . . . ?
C17 C18 C19 C20 -0.8(7) . . . . ?
C17 C18 C23 C24 88.3(4) . . . . ?
C17 C18 C23 C25 -149.0(4) . . . . ?
C17 C22 C26 C27 -118.3(5) . . . . ?
C17 C22 C26 C28 118.8(5) . . . . ?
C18 C17 C22 K1 -71.0(3) . . . . ?
C18 C17 C22 C21 -2.5(6) . . . . ?
C18 C17 C22 C26 175.7(4) . . . . ?
C18 C19 C20 K1 66.1(4) . . . . ?
C18 C19 C20 C21 -1.3(8) . . . . ?
C19 C18 C23 C24 -88.1(5) . . . . ?
C19 C18 C23 C25 34.6(5) . . . . ?
C19 C20 C21 K1 67.5(4) . . . . ?
C19 C20 C21 C22 1.5(8) . . . . ?
C20 C21 C22 K1 67.6(5) . . . . ?
C20 C21 C22 C17 0.5(7) . . . . ?
C20 C21 C22 C26 -177.8(5) . . . . ?
C21 C22 C26 C27 60.0(6) . . . . ?
C21 C22 C26 C28 -62.9(6) . . . . ?
C22 C17 C18 K1 70.7(3) . . . . ?
C22 C17 C18 C19 2.7(6) . . . . ?
C22 C17 C18 C23 -173.7(3) . . . . ?
C23 C18 C19 K1 -117.3(4) . . . . ?
C23 C18 C19 C20 175.6(4) . . . . ?
C29 Si3 N3 Sr1 102.67(19) . . . . ?
C29 Si3 N3 K1 -3.9(2) . . . . ?
C29 Si3 N3 Si4 -124.3(3) . . . . ?
C30 Si3 N3 Sr1 -11.5(2) . . . . ?
C30 Si3 N3 K1 -118.00(18) . . . . ?
C30 Si3 N3 Si4 121.5(3) . . . . ?
C31 Si3 N3 Sr1 -131.5(2) . . . . ?
C31 Si3 N3 K1 122.0(2) . . . . ?
C31 Si3 N3 Si4 1.5(4) . . . . ?
C32 Si4 N3 Sr1 -109.1(2) . . . . ?
C32 Si4 N3 K1 -1.1(2) . . . . ?
C32 Si4 N3 Si3 119.5(3) . . . . ?
C33 Si4 N3 Sr1 6.8(2) . . . . ?
C33 Si4 N3 K1 114.78(17) . . . . ?
C33 Si4 N3 Si3 -124.6(3) . . . . ?
C34 Si4 N3 Sr1 128.53(19) . . . . ?
C34 Si4 N3 K1 -123.50(18) . . . . ?
C34 Si4 N3 Si3 -2.9(4) . . . . ?
C35 Si5 O2 Sr2 132.3(2) . . . . ?
C35 Si5 O2 Si6 -22.4(7) . . . . ?
C35 Si5 N4 Sr2 -122.3(2) . . . . ?
C35 Si5 N4 C39 46.3(7) . . . . ?
C36 Si5 O2 Sr2 -113.7(2) . . . . ?
C36 Si5 O2 Si6 91.6(7) . . . . ?
C36 Si5 N4 Sr2 107.6(2) . . . . ?
C36 Si5 N4 C39 -83.7(6) . . . . ?
C37 Si6 O2 Sr2 -121.3(3) . . . . ?
C37 Si6 O2 Si5 33.4(7) . . . . ?
C37 Si6 N5 Sr2 117.8(3) . . . . ?
C37 Si6 N5 C51 -50.3(6) . . . . ?
C38 Si6 O2 Sr2 124.2(2) . . . . ?
C38 Si6 O2 Si5 -81.1(7) . . . . ?
C38 Si6 N5 Sr2 -111.2(3) . . . . ?
C38 Si6 N5 C51 80.7(6) . . . . ?
C39 C40 C41 K1 76.0(4) . . . . ?
C39 C40 C41 C42 2.9(7) . . . . ?
C39 C40 C45 C46 -103.9(5) . . . . ?
C39 C40 C45 C47 132.0(5) . . . . ?
C39 C44 C48 C49A 160.2(13) . . . . ?
C39 C44 C48 C50A -74.1(11) . . . . ?
C39 C44 C48 C49B 132.8(17) . . . . ?
C39 C44 C48 C50B -99(2) . . . . ?
C40 C39 C44 C43 6.4(5) . . . . ?
C40 C39 C44 C48 -177.0(4) . . . . ?
C40 C41 C42 K1 81.9(5) . . . . ?
C40 C41 C42 C43 2.1(7) . . . . ?
C41 C40 C45 C46 78.3(6) . . . . ?
C41 C40 C45 C47 -45.8(7) . . . . ?
C41 C42 C43 K1 75.2(4) . . . . ?
C41 C42 C43 C44 -2.8(7) . . . . ?
C42 C43 C44 C39 -1.6(6) . . . . ?
C42 C43 C44 C48 -178.2(4) . . . . ?
C43 C44 C48 C49A -23.1(14) . . . . ?
C43 C44 C48 C50A 102.5(11) . . . . ?
C43 C44 C48 C49B -50.6(17) . . . . ?
C43 C44 C48 C50B 78(2) . . . . ?
C44 C39 C40 K1 54.4(3) . . . . ?
C44 C39 C40 C41 -7.0(6) . . . . ?
C44 C39 C40 C45 175.2(4) . . . . ?
C45 C40 C41 K1 -106.2(4) . . . . ?
C45 C40 C41 C42 -179.3(5) . . . . ?
C51 C52 C53 K2 66.2(3) . . . . ?
C51 C52 C53 C54 -0.4(7) . . . . ?
C51 C52 C57 C58 -150.6(4) . . . . ?
C51 C52 C57 C59 87.6(5) . . . . ?
C51 C56 C60 C61 135.6(5) . . . . ?
C51 C56 C60 C62 -102.0(5) . . . . ?
C52 C51 C56 K2 -67.3(3) . . . . ?
C52 C51 C56 C55 -2.8(6) . . . . ?
C52 C51 C56 C60 172.1(4) . . . . ?
C52 C53 C54 K2 68.8(4) . . . . ?
C52 C53 C54 C55 -1.7(7) . . . . ?
C53 C52 C57 C58 35.0(6) . . . . ?
C53 C52 C57 C59 -86.8(5) . . . . ?
C53 C54 C55 K2 70.7(4) . . . . ?
C53 C54 C55 C56 1.4(8) . . . . ?
C54 C55 C56 K2 67.2(5) . . . . ?
C54 C55 C56 C51 0.9(7) . . . . ?
C54 C55 C56 C60 -174.1(4) . . . . ?
C55 C56 C60 C61 -49.4(6) . . . . ?
C55 C56 C60 C62 73.0(6) . . . . ?
C56 C51 C52 K2 67.3(3) . . . . ?
C56 C51 C52 C53 2.5(6) . . . . ?
C56 C51 C52 C57 -171.8(4) . . . . ?
C57 C52 C53 K2 -119.4(4) . . . . ?
C57 C52 C53 C54 174.0(4) . . . . ?
C63 Si7 N6 Sr2 5.5(2) . . . . ?
C63 Si7 N6 K2 115.81(16) . . . . ?
C63 Si7 N6 Si8 -124.3(3) . . . . ?
C64 Si7 N6 Sr2 -110.65(19) . . . . ?
C64 Si7 N6 K2 -0.3(2) . . . . ?
C64 Si7 N6 Si8 119.6(3) . . . . ?
C65 Si7 N6 Sr2 127.3(2) . . . . ?
C65 Si7 N6 K2 -122.4(2) . . . . ?
C65 Si7 N6 Si8 -2.5(4) . . . . ?
C66 Si8 N6 Sr2 -6.3(2) . . . . ?
C66 Si8 N6 K2 -115.9(2) . . . . ?
C66 Si8 N6 Si7 124.7(3) . . . . ?
C67 Si8 N6 Sr2 108.5(2) . . . . ?
C67 Si8 N6 K2 -1.0(2) . . . . ?
C67 Si8 N6 Si7 -120.4(3) . . . . ?
C68 Si8 N6 Sr2 -127.7(2) . . . . ?
C68 Si8 N6 K2 122.71(19) . . . . ?
C68 Si8 N6 Si7 3.3(4) . . . . ?
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.674(12)
2 0.326(12)
