# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_s23msh118
_database_code_depnum_ccdc_archive 'CCDC 2548846'
loop_
_audit_author_name
_audit_author_address
'Kyle Pearce'
;University of Bath
United Kingdom
;
_audit_update_record             
;
2026-04-23 deposited with the CCDC.	2026-06-16 downloaded from the CCDC.
;
_audit_creation_date             2023-12-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C53 H61 B N2 Sr, 1[C7H8]'
_chemical_formula_sum            'C60 H69 B N2 Sr'
_chemical_formula_weight         916.60
_chemical_melting_point          ?
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'
B B 0.0090 0.0039 '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'
Sr Sr -0.3528 1.8200 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   16.21270(10)
_cell_length_b                   24.28980(10)
_cell_length_c                   25.9560(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     10221.56(11)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    36583
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      72.8640
_cell_measurement_theta_min      4.0020
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.747
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68142
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
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    1.191
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3888
_exptl_crystal_size_max          0.229
_exptl_crystal_size_mid          0.136
_exptl_crystal_size_min          0.063
_exptl_special_details           ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0577
_diffrn_reflns_av_unetI/netI     0.0292
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            102995
_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         72.947
_diffrn_reflns_theta_min         3.405
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1150
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8989
_reflns_number_total             10169
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.284
_refine_diff_density_min         -0.451
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     528
_refine_ls_number_reflns         10169
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0289
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0375P)²+2.0426P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0708
_refine_ls_wR_factor_ref         0.0732
_refine_special_details          
;
The asymmetric unit comprises one molecule of the strontium complex and a 
region of solvent. While the latter was identifiable as a disordered 
toluene entity, appropriate modelling of same as two components yielded 
ADPs that were suggestive of a significant (but not so readily accessible) 
third disordered component. Thus, this region of the electron density 
map was ultimately treated using the Olex-2 solvent mask, and a 
concomitant allowance was made for the solvent content in the 
crystal in the formula as presented.
;
_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.a Ternary CH refined with riding coordinates:
 C7(H7), C10(H10), C24(H24), C27(H27)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C20(H20), C21(H21), C22(H22), C31(H31), C32(H32),
 C33(H33), C34(H34), C35(H35), C37(H37), C38(H38), C39(H39), C40(H40), C41(H41),
  C43(H43), C44(H44), C45(H45), C46(H46), C47(H47), C49(H49), C50(H50),
 C51(H51), C52(H52), C53(H53)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C),
 C14(H14A,H14B,H14C), C17(H17A,H17B,H17C), C25(H25A,H25B,H25C), C26(H26A,H26B,
 H26C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.41753(2) 0.40545(2) 0.80078(2) 0.01981(5) Uani 1 1 d . . . . .
N1 N 0.35302(7) 0.49232(4) 0.77167(4) 0.0193(2) Uani 1 1 d . . . . .
N2 N 0.39219(7) 0.44416(5) 0.88718(4) 0.0227(2) Uani 1 1 d . . . . .
C1 C 0.30021(8) 0.51267(5) 0.73189(5) 0.0202(2) Uani 1 1 d . . . . .
C2 C 0.30263(9) 0.49028(5) 0.68177(5) 0.0226(3) Uani 1 1 d . . . . .
C3 C 0.24680(9) 0.50878(6) 0.64472(5) 0.0257(3) Uani 1 1 d . . . . .
H3 H 0.2483 0.4934 0.6111 0.031 Uiso 1 1 calc R U . . .
C4 C 0.18934(9) 0.54907(6) 0.65600(6) 0.0258(3) Uani 1 1 d . . . . .
H4 H 0.1514 0.5610 0.6304 0.031 Uiso 1 1 calc R U . . .
C5 C 0.18764(9) 0.57171(6) 0.70477(6) 0.0247(3) Uani 1 1 d . . . . .
H5 H 0.1485 0.5996 0.7124 0.030 Uiso 1 1 calc R U . . .
C6 C 0.24222(8) 0.55449(5) 0.74318(5) 0.0219(3) Uani 1 1 d . . . . .
C7 C 0.36716(9) 0.44865(6) 0.66527(6) 0.0280(3) Uani 1 1 d . . . . .
H7 H 0.3954 0.4349 0.6970 0.034 Uiso 1 1 calc R U . . .
C8 C 0.33071(12) 0.39904(7) 0.63731(7) 0.0403(4) Uani 1 1 d . . . . .
H8A H 0.2859 0.3834 0.6580 0.060 Uiso 1 1 calc R U . . .
H8B H 0.3737 0.3712 0.6322 0.060 Uiso 1 1 calc R U . . .
H8C H 0.3091 0.4107 0.6038 0.060 Uiso 1 1 calc R U . . .
C9 C 0.43235(12) 0.47630(9) 0.63128(8) 0.0447(4) Uani 1 1 d . . . . .
H9A H 0.4056 0.4927 0.6011 0.067 Uiso 1 1 calc R U . . .
H9B H 0.4727 0.4488 0.6200 0.067 Uiso 1 1 calc R U . . .
H9C H 0.4604 0.5051 0.6510 0.067 Uiso 1 1 calc R U . . .
C10 C 0.23428(9) 0.58007(6) 0.79664(6) 0.0262(3) Uani 1 1 d . . . . .
H10 H 0.2827 0.5680 0.8177 0.031 Uiso 1 1 calc R U . . .
C11 C 0.15604(11) 0.55923(7) 0.82286(6) 0.0365(3) Uani 1 1 d . . . . .
H11A H 0.1078 0.5706 0.8028 0.055 Uiso 1 1 calc R U . . .
H11B H 0.1524 0.5747 0.8576 0.055 Uiso 1 1 calc R U . . .
H11C H 0.1577 0.5190 0.8250 0.055 Uiso 1 1 calc R U . . .
C12 C 0.23407(11) 0.64324(7) 0.79476(7) 0.0358(3) Uani 1 1 d . . . . .
H12A H 0.2832 0.6561 0.7763 0.054 Uiso 1 1 calc R U . . .
H12B H 0.2345 0.6579 0.8299 0.054 Uiso 1 1 calc R U . . .
H12C H 0.1844 0.6560 0.7768 0.054 Uiso 1 1 calc R U . . .
C13 C 0.41097(8) 0.52603(5) 0.79008(5) 0.0201(2) Uani 1 1 d . . . . .
C14 C 0.43808(9) 0.57629(6) 0.75989(6) 0.0273(3) Uani 1 1 d . . . . .
H14A H 0.4982 0.5797 0.7616 0.041 Uiso 1 1 calc R U . . .
H14B H 0.4126 0.6093 0.7747 0.041 Uiso 1 1 calc R U . . .
H14C H 0.4210 0.5724 0.7239 0.041 Uiso 1 1 calc R U . . .
C15 C 0.45310(8) 0.51896(5) 0.83740(5) 0.0220(3) Uani 1 1 d . . . . .
H15 H 0.4931(13) 0.5463(8) 0.8423(8) 0.035(5) Uiso 1 1 d . . . . .
C16 C 0.43249(9) 0.49110(5) 0.88426(5) 0.0225(3) Uani 1 1 d . . . . .
C17 C 0.46190(12) 0.52097(7) 0.93216(6) 0.0369(4) Uani 1 1 d . . . . .
H17A H 0.4575 0.4964 0.9620 0.055 Uiso 1 1 calc R U . . .
H17B H 0.4277 0.5537 0.9379 0.055 Uiso 1 1 calc R U . . .
H17C H 0.5195 0.5321 0.9276 0.055 Uiso 1 1 calc R U . . .
C18 C 0.36835(9) 0.42269(6) 0.93632(5) 0.0252(3) Uani 1 1 d . . . . .
C19 C 0.29462(10) 0.44077(6) 0.95960(6) 0.0298(3) Uani 1 1 d . . . . .
C20 C 0.27033(11) 0.41718(8) 1.00634(6) 0.0380(4) Uani 1 1 d . . . . .
H20 H 0.2214 0.4298 1.0227 0.046 Uiso 1 1 calc R U . . .
C21 C 0.31610(12) 0.37598(8) 1.02920(6) 0.0411(4) Uani 1 1 d . . . . .
H21 H 0.2985 0.3602 1.0609 0.049 Uiso 1 1 calc R U . . .
C22 C 0.38768(11) 0.35771(7) 1.00582(6) 0.0355(3) Uani 1 1 d . . . . .
H22 H 0.4186 0.3291 1.0216 0.043 Uiso 1 1 calc R U . . .
C23 C 0.41542(10) 0.38043(6) 0.95968(6) 0.0280(3) Uani 1 1 d . . . . .
C24 C 0.23866(10) 0.48366(7) 0.93533(6) 0.0350(3) Uani 1 1 d . . . . .
H24 H 0.2635 0.4955 0.9019 0.042 Uiso 1 1 calc R U . . .
C25 C 0.15342(13) 0.45930(10) 0.92456(9) 0.0555(5) Uani 1 1 d . . . . .
H25A H 0.1585 0.4292 0.8996 0.083 Uiso 1 1 calc R U . . .
H25B H 0.1173 0.4879 0.9105 0.083 Uiso 1 1 calc R U . . .
H25C H 0.1298 0.4452 0.9567 0.083 Uiso 1 1 calc R U . . .
C26 C 0.23001(18) 0.53410(10) 0.97001(10) 0.0654(6) Uani 1 1 d . . . . .
H26A H 0.2036 0.5234 1.0025 0.098 Uiso 1 1 calc R U . . .
H26B H 0.1961 0.5619 0.9527 0.098 Uiso 1 1 calc R U . . .
H26C H 0.2847 0.5494 0.9772 0.098 Uiso 1 1 calc R U . . .
C27 C 0.49440(10) 0.35897(6) 0.93545(6) 0.0297(3) Uani 1 1 d . . . . .
H27 H 0.4875 0.3612 0.8972 0.036 Uiso 1 1 calc R U . . .
C28 C 0.56977(11) 0.39355(8) 0.94961(7) 0.0408(4) Uani 1 1 d . . . . .
H28A H 0.5626 0.4311 0.9365 0.061 Uiso 1 1 calc R U . . .
H28B H 0.6192 0.3772 0.9342 0.061 Uiso 1 1 calc R U . . .
H28C H 0.5759 0.3946 0.9872 0.061 Uiso 1 1 calc R U . . .
C29 C 0.51242(13) 0.29850(7) 0.94883(7) 0.0407(4) Uani 1 1 d . . . . .
H29A H 0.5309 0.2959 0.9847 0.061 Uiso 1 1 calc R U . . .
H29B H 0.5557 0.2844 0.9260 0.061 Uiso 1 1 calc R U . . .
H29C H 0.4622 0.2766 0.9443 0.061 Uiso 1 1 calc R U . . .
C30 C 0.54732(8) 0.32396(5) 0.76532(5) 0.0208(3) Uani 1 1 d . . . . .
C31 C 0.54251(9) 0.35920(6) 0.72240(6) 0.0241(3) Uani 1 1 d . . . . .
H31 H 0.5204 0.3453 0.6911 0.029 Uiso 1 1 calc R U . . .
C32 C 0.56918(9) 0.41391(6) 0.72426(6) 0.0284(3) Uani 1 1 d . . . . .
H32 H 0.5655 0.4363 0.6943 0.034 Uiso 1 1 calc R U . . .
C33 C 0.60105(9) 0.43575(6) 0.76955(7) 0.0305(3) Uani 1 1 d . . . . .
H33 H 0.6181 0.4731 0.7711 0.037 Uiso 1 1 calc R U . . .
C34 C 0.60753(9) 0.40212(6) 0.81247(6) 0.0274(3) Uani 1 1 d . . . . .
H34 H 0.6296 0.4164 0.8436 0.033 Uiso 1 1 calc R U . . .
C35 C 0.58165(8) 0.34711(6) 0.81011(6) 0.0230(3) Uani 1 1 d . . . . .
H35 H 0.5875 0.3246 0.8399 0.028 Uiso 1 1 calc R U . . .
C36 C 0.40785(8) 0.28203(5) 0.78361(6) 0.0220(3) Uani 1 1 d . . . . .
C37 C 0.35024(9) 0.30444(6) 0.74844(6) 0.0273(3) Uani 1 1 d . . . . .
H37 H 0.3611 0.3018 0.7126 0.033 Uiso 1 1 calc R U . . .
C38 C 0.27782(10) 0.33028(6) 0.76492(7) 0.0354(4) Uani 1 1 d . . . . .
H38 H 0.2407 0.3449 0.7402 0.042 Uiso 1 1 calc R U . . .
C39 C 0.25954(9) 0.33486(7) 0.81693(8) 0.0358(3) Uani 1 1 d . . . . .
H39 H 0.2108 0.3531 0.8279 0.043 Uiso 1 1 calc R U . . .
C40 C 0.31368(10) 0.31235(6) 0.85265(7) 0.0316(3) Uani 1 1 d . . . . .
H40 H 0.3017 0.3145 0.8884 0.038 Uiso 1 1 calc R U . . .
C41 C 0.38598(9) 0.28657(5) 0.83578(6) 0.0246(3) Uani 1 1 d . . . . .
H41 H 0.4221 0.2714 0.8609 0.030 Uiso 1 1 calc R U . . .
C42 C 0.50584(9) 0.23420(5) 0.70926(5) 0.0238(3) Uani 1 1 d . . . . .
C43 C 0.58016(10) 0.23446(7) 0.68152(6) 0.0317(3) Uani 1 1 d . . . . .
H43 H 0.6254 0.2550 0.6946 0.038 Uiso 1 1 calc R U . . .
C44 C 0.59003(12) 0.20582(8) 0.63564(7) 0.0396(4) Uani 1 1 d . . . . .
H44 H 0.6413 0.2070 0.6180 0.047 Uiso 1 1 calc R U . . .
C45 C 0.52519(13) 0.17564(7) 0.61558(6) 0.0414(4) Uani 1 1 d . . . . .
H45 H 0.5317 0.1557 0.5843 0.050 Uiso 1 1 calc R U . . .
C46 C 0.45090(12) 0.17483(7) 0.64162(6) 0.0374(4) Uani 1 1 d . . . . .
H46 H 0.4058 0.1546 0.6280 0.045 Uiso 1 1 calc R U . . .
C47 C 0.44163(11) 0.20351(6) 0.68775(6) 0.0292(3) Uani 1 1 d . . . . .
H47 H 0.3901 0.2022 0.7051 0.035 Uiso 1 1 calc R U . . .
C48 C 0.54554(9) 0.22104(5) 0.80636(5) 0.0227(3) Uani 1 1 d . . . . .
C49 C 0.63172(9) 0.21947(6) 0.81211(6) 0.0281(3) Uani 1 1 d . . . . .
H49 H 0.6642 0.2458 0.7942 0.034 Uiso 1 1 calc R U . . .
C50 C 0.67140(10) 0.18086(7) 0.84307(7) 0.0352(3) Uani 1 1 d . . . . .
H50 H 0.7298 0.1812 0.8459 0.042 Uiso 1 1 calc R U . . .
C51 C 0.62574(12) 0.14199(7) 0.86974(7) 0.0365(4) Uani 1 1 d . . . . .
H51 H 0.6524 0.1158 0.8912 0.044 Uiso 1 1 calc R U . . .
C52 C 0.54056(11) 0.14189(6) 0.86468(6) 0.0325(3) Uani 1 1 d . . . . .
H52 H 0.5086 0.1153 0.8827 0.039 Uiso 1 1 calc R U . . .
C53 C 0.50172(9) 0.18051(6) 0.83334(6) 0.0264(3) Uani 1 1 d . . . . .
H53 H 0.4434 0.1794 0.8301 0.032 Uiso 1 1 calc R U . . .
B1 B 0.50151(9) 0.26335(6) 0.76585(6) 0.0207(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 N1 2.4732(11) . ?
Sr1 N2 2.4662(12) . ?
Sr1 C30 3.0319(12) . ?
Sr1 C31 3.0834(14) . ?
Sr1 C34 3.0963(14) . ?
Sr1 C35 3.0243(13) . ?
Sr1 C36 3.0350(12) . ?
Sr1 C37 3.0094(14) . ?
Sr1 C38 3.0547(16) . ?
Sr1 C39 3.1108(16) . ?
Sr1 C40 3.1245(15) . ?
Sr1 C41 3.0702(13) . ?
N1 C1 1.4295(17) . ?
N1 C13 1.3348(18) . ?
N2 C16 1.3163(19) . ?
N2 C18 1.4312(18) . ?
C1 C2 1.411(2) . ?
C1 C6 1.4148(19) . ?
C2 C3 1.395(2) . ?
C2 C7 1.5168(19) . ?
C3 H3 0.9500 . ?
C3 C4 1.382(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.381(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.397(2) . ?
C6 C10 1.5258(19) . ?
C7 H7 1.0000 . ?
C7 C8 1.526(2) . ?
C7 C9 1.532(2) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 1.0000 . ?
C10 C11 1.526(2) . ?
C10 C12 1.535(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.5159(18) . ?
C13 C15 1.4157(19) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15 0.94(2) . ?
C15 C16 1.431(2) . ?
C16 C17 1.517(2) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.410(2) . ?
C18 C23 1.415(2) . ?
C19 C20 1.398(2) . ?
C19 C24 1.518(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.380(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.383(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.393(2) . ?
C23 C27 1.519(2) . ?
C24 H24 1.0000 . ?
C24 C25 1.529(3) . ?
C24 C26 1.527(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27 1.0000 . ?
C27 C28 1.528(2) . ?
C27 C29 1.537(2) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.407(2) . ?
C30 C35 1.406(2) . ?
C30 B1 1.6491(18) . ?
C31 H31 0.9500 . ?
C31 C32 1.398(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.389(2) . ?
C33 H33 0.9500 . ?
C33 C34 1.386(2) . ?
C34 H34 0.9500 . ?
C34 C35 1.402(2) . ?
C35 H35 0.9500 . ?
C36 C37 1.415(2) . ?
C36 C41 1.404(2) . ?
C36 B1 1.651(2) . ?
C37 H37 0.9500 . ?
C37 C38 1.398(2) . ?
C38 H38 0.9500 . ?
C38 C39 1.387(3) . ?
C39 H39 0.9500 . ?
C39 C40 1.389(3) . ?
C40 H40 0.9500 . ?
C40 C41 1.399(2) . ?
C41 H41 0.9500 . ?
C42 C43 1.404(2) . ?
C42 C47 1.397(2) . ?
C42 B1 1.632(2) . ?
C43 H43 0.9500 . ?
C43 C44 1.388(2) . ?
C44 H44 0.9500 . ?
C44 C45 1.383(3) . ?
C45 H45 0.9500 . ?
C45 C46 1.381(3) . ?
C46 H46 0.9500 . ?
C46 C47 1.394(2) . ?
C47 H47 0.9500 . ?
C48 C49 1.406(2) . ?
C48 C53 1.402(2) . ?
C48 B1 1.6343(19) . ?
C49 H49 0.9500 . ?
C49 C50 1.393(2) . ?
C50 H50 0.9500 . ?
C50 C51 1.385(3) . ?
C51 H51 0.9500 . ?
C51 C52 1.387(3) . ?
C52 H52 0.9500 . ?
C52 C53 1.392(2) . ?
C53 H53 0.9500 . ?

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 C30 139.26(4) . . ?
N1 Sr1 C31 112.78(4) . . ?
N1 Sr1 C34 118.23(4) . . ?
N1 Sr1 C35 142.78(4) . . ?
N1 Sr1 C36 140.89(4) . . ?
N1 Sr1 C37 113.85(4) . . ?
N1 Sr1 C38 95.93(4) . . ?
N1 Sr1 C39 99.39(4) . . ?
N1 Sr1 C40 121.41(4) . . ?
N1 Sr1 C41 145.32(4) . . ?
N2 Sr1 N1 83.23(4) . . ?
N2 Sr1 C30 129.83(4) . . ?
N2 Sr1 C31 148.04(4) . . ?
N2 Sr1 C34 94.97(4) . . ?
N2 Sr1 C35 104.62(4) . . ?
N2 Sr1 C36 120.10(4) . . ?
N2 Sr1 C37 131.37(4) . . ?
N2 Sr1 C38 112.42(5) . . ?
N2 Sr1 C39 87.15(4) . . ?
N2 Sr1 C40 78.12(4) . . ?
N2 Sr1 C41 93.54(4) . . ?
C30 Sr1 C31 26.59(4) . . ?
C30 Sr1 C34 47.34(4) . . ?
C30 Sr1 C36 49.19(4) . . ?
C30 Sr1 C38 91.83(4) . . ?
C30 Sr1 C39 104.63(4) . . ?
C30 Sr1 C40 91.85(4) . . ?
C30 Sr1 C41 65.88(4) . . ?
C31 Sr1 C34 53.23(4) . . ?
C31 Sr1 C39 115.42(4) . . ?
C31 Sr1 C40 112.01(4) . . ?
C34 Sr1 C39 142.33(4) . . ?
C34 Sr1 C40 118.36(4) . . ?
C35 Sr1 C30 26.85(4) . . ?
C35 Sr1 C31 45.89(4) . . ?
C35 Sr1 C34 26.45(4) . . ?
C35 Sr1 C36 66.07(4) . . ?
C35 Sr1 C38 113.37(4) . . ?
C35 Sr1 C39 117.09(4) . . ?
C35 Sr1 C40 95.76(4) . . ?
C35 Sr1 C41 71.47(4) . . ?
C36 Sr1 C31 64.99(4) . . ?
C36 Sr1 C34 92.30(4) . . ?
C36 Sr1 C38 47.66(4) . . ?
C36 Sr1 C39 55.44(4) . . ?
C36 Sr1 C40 47.19(4) . . ?
C36 Sr1 C41 26.59(4) . . ?
C37 Sr1 C30 65.31(4) . . ?
C37 Sr1 C31 69.10(4) . . ?
C37 Sr1 C34 112.56(4) . . ?
C37 Sr1 C35 88.46(4) . . ?
C37 Sr1 C36 27.07(4) . . ?
C37 Sr1 C38 26.65(4) . . ?
C37 Sr1 C39 46.60(4) . . ?
C37 Sr1 C40 53.77(4) . . ?
C37 Sr1 C41 46.07(4) . . ?
C38 Sr1 C31 93.92(4) . . ?
C38 Sr1 C34 138.76(4) . . ?
C38 Sr1 C39 25.97(5) . . ?
C38 Sr1 C40 45.50(5) . . ?
C38 Sr1 C41 53.44(4) . . ?
C39 Sr1 C40 25.74(5) . . ?
C41 Sr1 C31 87.82(4) . . ?
C41 Sr1 C34 96.44(4) . . ?
C41 Sr1 C39 45.93(4) . . ?
C41 Sr1 C40 26.09(4) . . ?
C1 N1 Sr1 140.27(8) . . ?
C13 N1 Sr1 96.68(8) . . ?
C13 N1 C1 117.90(11) . . ?
C16 N2 Sr1 101.25(9) . . ?
C16 N2 C18 120.07(12) . . ?
C18 N2 Sr1 135.77(9) . . ?
C2 C1 N1 121.07(12) . . ?
C2 C1 C6 119.10(12) . . ?
C6 C1 N1 119.79(12) . . ?
C1 C2 C7 122.45(12) . . ?
C3 C2 C1 119.57(13) . . ?
C3 C2 C7 117.89(13) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 C2 121.29(13) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.32(13) . . ?
C5 C4 H4 120.3 . . ?
C4 C5 H5 119.3 . . ?
C4 C5 C6 121.49(13) . . ?
C6 C5 H5 119.3 . . ?
C1 C6 C10 122.47(12) . . ?
C5 C6 C1 119.21(13) . . ?
C5 C6 C10 118.27(12) . . ?
C2 C7 H7 107.8 . . ?
C2 C7 C8 113.18(13) . . ?
C2 C7 C9 110.26(13) . . ?
C8 C7 H7 107.8 . . ?
C8 C7 C9 109.84(14) . . ?
C9 C7 H7 107.8 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 H10 108.2 . . ?
C6 C10 C11 109.91(12) . . ?
C6 C10 C12 112.23(12) . . ?
C11 C10 H10 108.2 . . ?
C11 C10 C12 110.12(13) . . ?
C12 C10 H10 108.2 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 C14 120.86(12) . . ?
N1 C13 C15 125.16(12) . . ?
C15 C13 C14 113.97(12) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15 111.4(13) . . ?
C13 C15 C16 132.99(13) . . ?
C16 C15 H15 112.5(13) . . ?
N2 C16 C15 125.06(13) . . ?
N2 C16 C17 121.55(13) . . ?
C15 C16 C17 113.40(12) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 N2 119.84(13) . . ?
C19 C18 C23 119.96(14) . . ?
C23 C18 N2 120.03(13) . . ?
C18 C19 C24 122.86(14) . . ?
C20 C19 C18 118.89(15) . . ?
C20 C19 C24 118.22(15) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 C19 121.25(16) . . ?
C21 C20 H20 119.4 . . ?
C20 C21 H21 120.2 . . ?
C20 C21 C22 119.69(15) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 H22 119.3 . . ?
C21 C22 C23 121.40(15) . . ?
C23 C22 H22 119.3 . . ?
C18 C23 C27 121.74(13) . . ?
C22 C23 C18 118.78(15) . . ?
C22 C23 C27 119.48(14) . . ?
C19 C24 H24 108.5 . . ?
C19 C24 C25 110.51(15) . . ?
C19 C24 C26 111.15(15) . . ?
C25 C24 H24 108.5 . . ?
C26 C24 H24 108.5 . . ?
C26 C24 C25 109.59(18) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C27 H27 107.3 . . ?
C23 C27 C28 112.71(13) . . ?
C23 C27 C29 113.24(14) . . ?
C28 C27 H27 107.3 . . ?
C28 C27 C29 108.60(14) . . ?
C29 C27 H27 107.3 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 Sr1 78.75(8) . . ?
C31 C30 B1 121.66(12) . . ?
C35 C30 Sr1 76.27(7) . . ?
C35 C30 C31 115.68(12) . . ?
C35 C30 B1 121.88(12) . . ?
B1 C30 Sr1 105.54(8) . . ?
Sr1 C31 H31 116.5 . . ?
C30 C31 Sr1 74.67(8) . . ?
C30 C31 H31 118.9 . . ?
C32 C31 Sr1 80.44(8) . . ?
C32 C31 C30 122.24(14) . . ?
C32 C31 H31 118.9 . . ?
Sr1 C32 H32 120.0 . . ?
C31 C32 Sr1 73.75(8) . . ?
C31 C32 H32 119.8 . . ?
C33 C32 Sr1 77.47(9) . . ?
C33 C32 C31 120.48(14) . . ?
C33 C32 H32 119.8 . . ?
Sr1 C33 H33 119.0 . . ?
C32 C33 Sr1 77.21(9) . . ?
C32 C33 H33 120.5 . . ?
C34 C33 Sr1 74.26(8) . . ?
C34 C33 C32 118.91(13) . . ?
C34 C33 H33 120.5 . . ?
Sr1 C34 H34 116.7 . . ?
C33 C34 Sr1 80.23(9) . . ?
C33 C34 H34 119.9 . . ?
C33 C34 C35 120.27(14) . . ?
C35 C34 Sr1 73.91(8) . . ?
C35 C34 H34 119.9 . . ?
Sr1 C35 H35 115.0 . . ?
C30 C35 Sr1 76.87(7) . . ?
C30 C35 H35 118.8 . . ?
C34 C35 Sr1 79.64(8) . . ?
C34 C35 C30 122.39(14) . . ?
C34 C35 H35 118.8 . . ?
C37 C36 Sr1 75.46(8) . . ?
C37 C36 B1 122.21(13) . . ?
C41 C36 Sr1 78.10(7) . . ?
C41 C36 C37 115.16(13) . . ?
C41 C36 B1 121.55(12) . . ?
B1 C36 Sr1 105.37(7) . . ?
Sr1 C37 H37 115.4 . . ?
C36 C37 Sr1 77.47(8) . . ?
C36 C37 H37 119.0 . . ?
C38 C37 Sr1 78.48(9) . . ?
C38 C37 C36 121.98(15) . . ?
C38 C37 H37 119.0 . . ?
Sr1 C38 H38 117.0 . . ?
C37 C38 Sr1 74.87(8) . . ?
C37 C38 H38 119.6 . . ?
C39 C38 Sr1 79.27(9) . . ?
C39 C38 C37 120.89(15) . . ?
C39 C38 H38 119.6 . . ?
Sr1 C39 H39 117.9 . . ?
C38 C39 Sr1 74.75(9) . . ?
C38 C39 H39 120.6 . . ?
C38 C39 C40 118.90(15) . . ?
C40 C39 Sr1 77.68(9) . . ?
C40 C39 H39 120.6 . . ?
Sr1 C40 H40 119.5 . . ?
C39 C40 Sr1 76.58(9) . . ?
C39 C40 H40 120.1 . . ?
C39 C40 C41 119.78(16) . . ?
C41 C40 Sr1 74.79(8) . . ?
C41 C40 H40 120.1 . . ?
Sr1 C41 H41 117.7 . . ?
C36 C41 Sr1 75.31(7) . . ?
C36 C41 H41 118.4 . . ?
C40 C41 Sr1 79.12(8) . . ?
C40 C41 C36 123.27(14) . . ?
C40 C41 H41 118.4 . . ?
C43 C42 B1 119.77(13) . . ?
C47 C42 C43 115.92(14) . . ?
C47 C42 B1 124.00(14) . . ?
C42 C43 H43 118.8 . . ?
C44 C43 C42 122.45(16) . . ?
C44 C43 H43 118.8 . . ?
C43 C44 H44 120.0 . . ?
C45 C44 C43 120.05(17) . . ?
C45 C44 H44 120.0 . . ?
C44 C45 H45 120.5 . . ?
C46 C45 C44 119.09(15) . . ?
C46 C45 H45 120.5 . . ?
C45 C46 H46 119.8 . . ?
C45 C46 C47 120.48(16) . . ?
C47 C46 H46 119.8 . . ?
C42 C47 H47 119.0 . . ?
C46 C47 C42 122.00(16) . . ?
C46 C47 H47 119.0 . . ?
C49 C48 B1 121.30(13) . . ?
C53 C48 C49 115.58(13) . . ?
C53 C48 B1 122.80(13) . . ?
C48 C49 H49 118.7 . . ?
C50 C49 C48 122.60(15) . . ?
C50 C49 H49 118.7 . . ?
C49 C50 H50 120.0 . . ?
C51 C50 C49 120.03(15) . . ?
C51 C50 H50 120.0 . . ?
C50 C51 H51 120.5 . . ?
C50 C51 C52 119.07(14) . . ?
C52 C51 H51 120.5 . . ?
C51 C52 H52 119.9 . . ?
C51 C52 C53 120.29(15) . . ?
C53 C52 H52 119.9 . . ?
C48 C53 H53 118.8 . . ?
C52 C53 C48 122.41(15) . . ?
C52 C53 H53 118.8 . . ?
C30 B1 C36 99.85(10) . . ?
C42 B1 C30 111.12(11) . . ?
C42 B1 C36 114.21(11) . . ?
C42 B1 C48 106.71(10) . . ?
C48 B1 C30 111.72(11) . . ?
C48 B1 C36 113.28(12) . . ?

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 C1 C2 -33.6(2) . . . . ?
Sr1 N1 C1 C6 143.89(11) . . . . ?
Sr1 N1 C13 C14 141.02(11) . . . . ?
Sr1 N1 C13 C15 -38.04(14) . . . . ?
Sr1 N2 C16 C15 22.20(15) . . . . ?
Sr1 N2 C16 C17 -157.74(12) . . . . ?
Sr1 N2 C18 C19 -119.01(14) . . . . ?
Sr1 N2 C18 C23 56.28(19) . . . . ?
Sr1 C30 C31 C32 67.88(13) . . . . ?
Sr1 C30 C35 C34 -68.50(12) . . . . ?
Sr1 C30 B1 C36 2.13(11) . . . . ?
Sr1 C30 B1 C42 123.01(10) . . . . ?
Sr1 C30 B1 C48 -117.93(10) . . . . ?
Sr1 C31 C32 C33 64.29(13) . . . . ?
Sr1 C32 C33 C34 63.69(13) . . . . ?
Sr1 C33 C34 C35 64.78(12) . . . . ?
Sr1 C34 C35 C30 67.09(12) . . . . ?
Sr1 C36 C37 C38 -67.68(13) . . . . ?
Sr1 C36 C41 C40 66.09(13) . . . . ?
Sr1 C36 B1 C30 -2.13(11) . . . . ?
Sr1 C36 B1 C42 -120.76(9) . . . . ?
Sr1 C36 B1 C48 116.80(9) . . . . ?
Sr1 C37 C38 C39 -67.27(14) . . . . ?
Sr1 C38 C39 C40 -66.23(14) . . . . ?
Sr1 C39 C40 C41 -63.43(13) . . . . ?
Sr1 C40 C41 C36 -64.22(12) . . . . ?
N1 C1 C2 C3 176.10(12) . . . . ?
N1 C1 C2 C7 -7.4(2) . . . . ?
N1 C1 C6 C5 -176.21(12) . . . . ?
N1 C1 C6 C10 1.1(2) . . . . ?
N1 C13 C15 C16 -24.9(2) . . . . ?
N2 C18 C19 C20 176.73(14) . . . . ?
N2 C18 C19 C24 -1.3(2) . . . . ?
N2 C18 C23 C22 -175.68(14) . . . . ?
N2 C18 C23 C27 3.6(2) . . . . ?
C1 N1 C13 C14 -18.73(19) . . . . ?
C1 N1 C13 C15 162.20(13) . . . . ?
C1 C2 C3 C4 0.5(2) . . . . ?
C1 C2 C7 C8 132.22(15) . . . . ?
C1 C2 C7 C9 -104.30(16) . . . . ?
C1 C6 C10 C11 -106.39(15) . . . . ?
C1 C6 C10 C12 130.71(14) . . . . ?
C2 C1 C6 C5 1.38(19) . . . . ?
C2 C1 C6 C10 178.70(12) . . . . ?
C2 C3 C4 C5 0.5(2) . . . . ?
C3 C2 C7 C8 -51.22(19) . . . . ?
C3 C2 C7 C9 72.26(18) . . . . ?
C3 C4 C5 C6 -0.6(2) . . . . ?
C4 C5 C6 C1 -0.4(2) . . . . ?
C4 C5 C6 C10 -177.80(13) . . . . ?
C5 C6 C10 C11 70.96(16) . . . . ?
C5 C6 C10 C12 -51.94(18) . . . . ?
C6 C1 C2 C3 -1.5(2) . . . . ?
C6 C1 C2 C7 175.05(13) . . . . ?
C7 C2 C3 C4 -176.15(13) . . . . ?
C13 N1 C1 C2 113.82(14) . . . . ?
C13 N1 C1 C6 -68.64(17) . . . . ?
C13 C15 C16 N2 37.3(2) . . . . ?
C13 C15 C16 C17 -142.72(16) . . . . ?
C14 C13 C15 C16 156.02(15) . . . . ?
C16 N2 C18 C19 84.38(18) . . . . ?
C16 N2 C18 C23 -100.33(16) . . . . ?
C18 N2 C16 C15 -174.20(13) . . . . ?
C18 N2 C16 C17 5.9(2) . . . . ?
C18 C19 C20 C21 -1.5(3) . . . . ?
C18 C19 C24 C25 118.67(18) . . . . ?
C18 C19 C24 C26 -119.43(19) . . . . ?
C18 C23 C27 C28 85.07(18) . . . . ?
C18 C23 C27 C29 -151.15(14) . . . . ?
C19 C18 C23 C22 -0.4(2) . . . . ?
C19 C18 C23 C27 178.87(14) . . . . ?
C19 C20 C21 C22 0.4(3) . . . . ?
C20 C19 C24 C25 -59.4(2) . . . . ?
C20 C19 C24 C26 62.5(2) . . . . ?
C20 C21 C22 C23 0.7(3) . . . . ?
C21 C22 C23 C18 -0.7(3) . . . . ?
C21 C22 C23 C27 -179.96(16) . . . . ?
C22 C23 C27 C28 -95.66(18) . . . . ?
C22 C23 C27 C29 28.1(2) . . . . ?
C23 C18 C19 C20 1.4(2) . . . . ?
C23 C18 C19 C24 -176.60(15) . . . . ?
C24 C19 C20 C21 176.67(17) . . . . ?
C30 C31 C32 Sr1 -64.96(12) . . . . ?
C30 C31 C32 C33 -0.7(2) . . . . ?
C31 C30 C35 Sr1 70.10(11) . . . . ?
C31 C30 C35 C34 1.61(19) . . . . ?
C31 C30 B1 C36 -84.05(14) . . . . ?
C31 C30 B1 C42 36.83(17) . . . . ?
C31 C30 B1 C48 155.88(12) . . . . ?
C31 C32 C33 Sr1 -62.39(13) . . . . ?
C31 C32 C33 C34 1.3(2) . . . . ?
C32 C33 C34 Sr1 -65.26(13) . . . . ?
C32 C33 C34 C35 -0.5(2) . . . . ?
C33 C34 C35 Sr1 -68.11(13) . . . . ?
C33 C34 C35 C30 -1.0(2) . . . . ?
C35 C30 C31 Sr1 -68.65(10) . . . . ?
C35 C30 C31 C32 -0.8(2) . . . . ?
C35 C30 B1 C36 85.41(14) . . . . ?
C35 C30 B1 C42 -153.71(12) . . . . ?
C35 C30 B1 C48 -34.66(17) . . . . ?
C36 C37 C38 Sr1 67.16(12) . . . . ?
C36 C37 C38 C39 -0.1(2) . . . . ?
C37 C36 C41 Sr1 -67.51(10) . . . . ?
C37 C36 C41 C40 -1.42(19) . . . . ?
C37 C36 B1 C30 80.13(14) . . . . ?
C37 C36 B1 C42 -38.49(17) . . . . ?
C37 C36 B1 C48 -160.94(12) . . . . ?
C37 C38 C39 Sr1 64.98(13) . . . . ?
C37 C38 C39 C40 -1.3(2) . . . . ?
C38 C39 C40 Sr1 64.66(14) . . . . ?
C38 C39 C40 C41 1.2(2) . . . . ?
C39 C40 C41 Sr1 64.36(13) . . . . ?
C39 C40 C41 C36 0.1(2) . . . . ?
C41 C36 C37 Sr1 69.07(10) . . . . ?
C41 C36 C37 C38 1.4(2) . . . . ?
C41 C36 B1 C30 -87.42(14) . . . . ?
C41 C36 B1 C42 153.96(12) . . . . ?
C41 C36 B1 C48 31.51(16) . . . . ?
C42 C43 C44 C45 0.1(3) . . . . ?
C43 C42 C47 C46 0.1(2) . . . . ?
C43 C42 B1 C30 44.87(17) . . . . ?
C43 C42 B1 C36 156.89(13) . . . . ?
C43 C42 B1 C48 -77.15(15) . . . . ?
C43 C44 C45 C46 0.5(3) . . . . ?
C44 C45 C46 C47 -0.7(3) . . . . ?
C45 C46 C47 C42 0.4(2) . . . . ?
C47 C42 C43 C44 -0.4(2) . . . . ?
C47 C42 B1 C30 -141.74(13) . . . . ?
C47 C42 B1 C36 -29.72(18) . . . . ?
C47 C42 B1 C48 96.24(16) . . . . ?
C48 C49 C50 C51 0.0(2) . . . . ?
C49 C48 C53 C52 1.3(2) . . . . ?
C49 C48 B1 C30 -39.24(17) . . . . ?
C49 C48 B1 C36 -151.07(12) . . . . ?
C49 C48 B1 C42 82.40(15) . . . . ?
C49 C50 C51 C52 0.6(3) . . . . ?
C50 C51 C52 C53 -0.2(2) . . . . ?
C51 C52 C53 C48 -0.8(2) . . . . ?
C53 C48 C49 C50 -0.9(2) . . . . ?
C53 C48 B1 C30 147.56(13) . . . . ?
C53 C48 B1 C36 35.73(17) . . . . ?
C53 C48 B1 C42 -90.80(15) . . . . ?
B1 C30 C31 Sr1 101.43(11) . . . . ?
B1 C30 C31 C32 169.31(13) . . . . ?
B1 C30 C35 Sr1 -99.95(11) . . . . ?
B1 C30 C35 C34 -168.44(12) . . . . ?
B1 C36 C37 Sr1 -99.21(11) . . . . ?
B1 C36 C37 C38 -166.89(13) . . . . ?
B1 C36 C41 Sr1 100.86(11) . . . . ?
B1 C36 C41 C40 166.95(13) . . . . ?
B1 C42 C43 C44 173.53(15) . . . . ?
B1 C42 C47 C46 -173.50(14) . . . . ?
B1 C48 C49 C50 -174.56(14) . . . . ?
B1 C48 C53 C52 174.85(13) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.727 -0.250 0.500 1146.2 209.9 '4 C7H8'
2 -0.740 -0.683 0.000 1146.2 209.9 '4 C7H8'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_y26msh02
_database_code_depnum_ccdc_archive 'CCDC 2548848'
loop_
_audit_author_name
_audit_author_address
'Kyle Pearce'
;University of Bath
United Kingdom
;
_audit_update_record             
;
2026-04-23 deposited with the CCDC.	2026-06-16 downloaded from the CCDC.
;
_audit_creation_date             2026-02-18
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2025.04.05 svn.rf049d14d for OlexSys, GUI svn.r7224)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C74 H116 Al2 N4 Si4 Sr, 0.1[C7H8]'
_chemical_formula_sum            'C74 H116 Al2 N4 Si4 Sr'
_chemical_formula_weight         1315.64
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H N Si Al Sr'
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'
Al Al 0.2130 0.2455 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.2885(3)
_cell_length_b                   14.72550(10)
_cell_length_c                   17.53680(10)
_cell_angle_alpha                90
_cell_angle_beta                 95.2200(10)
_cell_angle_gamma                90
_cell_volume                     7532.04(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    30038
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      78.4270
_cell_measurement_theta_min      3.0160
_cell_oxdiff_angle_alpha         90.0110(5)
_cell_oxdiff_angle_beta          95.1987(7)
_cell_oxdiff_angle_gamma         89.9820(9)
_cell_oxdiff_length_a            29.2916(4)
_cell_oxdiff_length_b            14.72574(12)
_cell_oxdiff_length_c            17.53408(8)
_cell_oxdiff_measurement_reflns_used 30037
_cell_oxdiff_volume              7532.06(12)
_shelx_estimated_absorpt_T_max   0.901
_shelx_estimated_absorpt_T_min   0.784
_exptl_absorpt_coefficient_mu    2.137
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.73739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.44.85 (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.160
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2832
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-10 -8 3 0.0398
9 5 7 0.0184
8 7 -7 0.0553
-10 -6 -6 0.0312
-1 -2 11 0.0511
18 -1 2 0.0285
-19 1 1 0.0170
2 -6 -9 0.0439
2 -9 5 0.0425

_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-10.1218 -7.8951 2.6606 -0.2186 -0.9108 0.3504
9.0868 5.3690 7.1626 0.1924 0.8147 0.5470
7.8797 6.9636 -6.6132 0.1720 0.7104 -0.6825
-9.5052 -5.7957 -6.4948 -0.2016 -0.8525 -0.4822
-0.9776 -1.9004 11.1467 -0.0559 -0.0129 0.9984
18.1695 -1.2842 1.9855 0.9171 0.2742 0.2894
-18.9475 0.7349 1.3820 -0.9584 -0.2853 0.0093
1.8508 -6.3331 -8.5168 0.3848 -0.7109 -0.5887
2.0479 -8.6409 4.5799 0.3873 -0.7063 0.5926

_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            53020
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         80.690
_diffrn_reflns_theta_min         3.030
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 100'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     44.00  85.00   0.50    5.00    --   45.44-125.00  30.00   82
  2  ω    -43.00  34.00   0.50    5.00    --  -47.44  38.00 150.00  154
  3  ω   -129.00 -24.00   0.50    5.00    --  -47.44 -38.00   0.00  210
  4  ω     31.00 109.00   0.50   20.00    --   84.00-112.00  33.02  156
  5  ω    -86.00 -54.00   0.50   20.00    --  -84.80  77.00   0.00   64
  6  ω    -32.00  -2.00   0.50   20.00    --  -84.80  30.00 120.00   60
  7  ω    -31.00  -6.00   0.50   20.00    --  -84.80  30.00 -90.00   50
  8  ω   -104.00 -38.00   0.50   20.00    --  -84.80  77.00 120.00  132
  9  ω   -119.00 -83.00   0.50   20.00    --  -84.80-125.00-150.00   72
 10  ω   -167.00 -75.00   0.50   20.00    --  -84.80 -30.00  30.00  184
 11  ω    -41.00 -15.00   0.50   20.00    --  -84.80  61.00 -90.00   52
 12  ω    -48.00  -5.00   0.50   20.00    --  -84.80  45.00-180.00   86
 13  ω    -96.00 -17.00   0.50   20.00    --  -84.80  77.00-150.00  158
 14  ω    -51.00  -4.00   0.50   20.00    --  -84.80  45.00 -30.00   94
 15  ω    -33.00  -2.00   0.50   20.00    --  -84.80  30.00 150.00   62
 16  ω    -90.00 -58.00   0.50   20.00    --  -84.80  77.00 -60.00   64
 17  ω    -35.00 -10.00   0.50   20.00    --  -84.80  30.00 -60.00   50
 18  ω     93.00 178.00   0.50   20.00    --  111.56  45.00-150.00  170
 19  ω     95.00 144.00   0.50   20.00    --  111.56 125.00  60.00   98
 20  ω     66.00 111.00   0.50   20.00    --  111.56-125.00-180.00   90
 21  ω     94.00 127.00   0.50   20.00    --  111.56  45.00  90.00   66
 22  ω     36.00  64.00   0.50   20.00    --  111.56 -61.00-150.00   56
 23  ω     39.00 108.00   0.50   20.00    --  111.56-125.00  30.00  138
 24  ω     59.00 102.00   0.50   20.00    --  111.56 -77.00  90.00   86
 25  ω     64.00 111.00   0.50   20.00    --  111.56-125.00-150.00   94
 26  ω    139.00 172.00   0.50   20.00    --  111.56 125.00   0.00   66
 27  ω     40.00  69.00   0.50   20.00    --  111.56 -61.00  30.00   58
 28  ω     98.00 132.00   0.50   20.00    --  111.56 125.00   0.00   68
 29  ω     61.00 104.00   0.50   20.00    --  111.56 -77.00   0.00   86
 30  ω    122.00 177.00   0.50   20.00    --  111.56  45.00-120.00  110
 31  ω     67.00 111.00   0.50   20.00    --  111.56-125.00-120.00   88
 32  ω     96.00 126.00   0.50   20.00    --  111.56  45.00 150.00   60
 33  ω    146.00 178.00   0.50   20.00    --  111.56  45.00 -90.00   64
 34  ω    115.00 141.00   0.50   20.00    --  111.56  45.00 -90.00   52
 35  ω    100.00 168.00   0.50   20.00    --  111.56 125.00  90.00  136
 36  ω     37.00  63.00   0.50   20.00    --  111.56 -61.00  90.00   52
 37  ω    117.00 157.00   0.50   20.00    --  111.56 125.00 -30.00   80
 38  ω    135.00 177.00   0.50   20.00    --  111.56  45.00 150.00   84
 39  ω     78.00 109.00   0.50   20.00    --  111.56-125.00   0.00   62
 40  ω     36.00  75.00   0.50   20.00    --  111.56-125.00   0.00   78
 41  ω     43.00  88.00   0.50   20.00    --  111.56 -95.00 -60.00   90
 42  ω     92.00 177.00   0.50   20.00    --  111.56  45.00-180.00  170
 43  ω     68.00  93.00   0.50   20.00    --  111.56 -95.00-150.00   50
 44  ω     38.00  63.00   0.50   20.00    --  113.75-119.00  70.16   50
 45  ω     61.00 108.00   0.50   20.00    --  113.75-114.00 110.45   94
 46  ω     42.00  68.00   0.50   20.00    --  113.75-110.00  42.97   52
 47  ω     46.00 108.00   0.50   20.00    --  113.75-115.00 -68.94  124
 48  ω     83.00 108.00   0.50   20.00    --  113.75-110.00  42.97   50
 49  ω     83.00 108.00   0.50   20.00    --  113.75-110.00-138.90   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix-Arc 100'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0486288000
_diffrn_orient_matrix_UB_12      -0.0370419000
_diffrn_orient_matrix_UB_13      -0.0070667000
_diffrn_orient_matrix_UB_21      0.0199899000
_diffrn_orient_matrix_UB_22      0.0954124000
_diffrn_orient_matrix_UB_23      0.0168642000
_diffrn_orient_matrix_UB_31      0.0049661000
_diffrn_orient_matrix_UB_32      -0.0216585000
_diffrn_orient_matrix_UB_33      0.0863081000
_diffrn_oxdiff_digest_od_ed      
;

;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7473
_reflns_number_total             8133
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.44.85 (Rigaku OD, 2024)'
_computing_data_collection       
'CrysAlisPro system (CCD 44.128a 64-bit (release 04-11-2025))'
_computing_data_reduction        'CrysAlisPro 1.171.44.85 (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.453
_refine_diff_density_min         -0.121
_refine_diff_density_rms         0.024
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     391
_refine_ls_number_reflns         8133
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0834
_refine_ls_R_factor_gt           0.0803
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.064
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0552P)²+4.5680P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2430
_refine_ls_wR_factor_ref         0.2441
_refine_special_details          
;
The asymmetric unit for y26msh02 is comprised of half a dialuminate strontium 
complex, which can be completed by virtue of inversion symmetry: 11-X,+Y,3/2-Z. 
The SWAT function was implemented to account for diffuse solvent electron 
density identified in the asymmetric unit, which was not readily modelled.
;
_olex2_refinement_description    
;
1. 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
2.a Ternary CH refined with riding coordinates:
 C13(H13), C16(H16), C25(H25), C28(H28)
2.b Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B)
2.c Aromatic/amide H refined with riding coordinates:
 C9(H9), C10(H10), C11(H11), C21(H21), C22(H22), C23(H23), C32(H32), C33(H33),
 C34(H34), C36(H36)
2.d Fitted hexagon refined as free rotating group:
 C7(C8,C9,C10,C11,C12)
2.e Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C14(H14A,
 H14B,H14C), C15(H15A,H15B,H15C), C17(H17A,H17B,H17C), C18(H18A,H18B,H18C),
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C29(H29A,H29B,H29C), C30(H30A,H30B,
 H30C), C37(H37A,H37B,H37C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.500000 0.21482(5) 0.750000 0.0420(10) Uani 1 2 d S T P . .
H H 0.563(2) 0.306(4) 0.713(3) 0.039(15) Uiso 1 1 d . . . . .
Si1 Si 0.62358(5) 0.17211(11) 0.52079(9) 0.0434(10) Uani 1 1 d . . . . .
Si2 Si 0.66196(5) 0.41864(11) 0.57624(9) 0.0429(10) Uani 1 1 d . . . . .
Al1 Al 0.61330(5) 0.27106(11) 0.68480(9) 0.0383(10) Uani 1 1 d . . . . .
N1 N 0.59363(15) 0.1980(3) 0.5996(3) 0.0395(13) Uani 1 1 d . . . . .
N2 N 0.65073(16) 0.3670(3) 0.6616(3) 0.0416(14) Uani 1 1 d . . . . .
C1 C 0.6425(2) 0.2725(5) 0.4666(3) 0.0498(17) Uani 1 1 d . . . . .
H1A H 0.653097 0.250318 0.417896 0.060 Uiso 1 1 calc R U . . .
H1B H 0.615423 0.311456 0.453378 0.060 Uiso 1 1 calc R U . . .
C2 C 0.6807(2) 0.3325(4) 0.5062(3) 0.0493(16) Uani 1 1 d . . . . .
H2A H 0.695969 0.365077 0.466142 0.059 Uiso 1 1 calc R U . . .
H2B H 0.703891 0.292398 0.533542 0.059 Uiso 1 1 calc R U . . .
C3 C 0.5859(2) 0.1084(5) 0.4463(4) 0.0597(19) Uani 1 1 d . . . . .
H3A H 0.600486 0.050640 0.434996 0.090 Uiso 1 1 calc R U . . .
H3B H 0.581433 0.144842 0.399444 0.090 Uiso 1 1 calc R U . . .
H3C H 0.556096 0.096472 0.465609 0.090 Uiso 1 1 calc R U . . .
C4 C 0.6759(2) 0.1043(5) 0.5511(4) 0.0568(18) Uani 1 1 d . . . . .
H4A H 0.693063 0.133975 0.594805 0.085 Uiso 1 1 calc R U . . .
H4B H 0.695303 0.100290 0.508463 0.085 Uiso 1 1 calc R U . . .
H4C H 0.666951 0.043155 0.565819 0.085 Uiso 1 1 calc R U . . .
C5 C 0.6125(2) 0.4820(4) 0.5253(4) 0.0500(16) Uani 1 1 d . . . . .
H5A H 0.587715 0.439292 0.509865 0.075 Uiso 1 1 calc R U . . .
H5B H 0.622611 0.511838 0.479836 0.075 Uiso 1 1 calc R U . . .
H5C H 0.601443 0.527794 0.559738 0.075 Uiso 1 1 calc R U . . .
C6 C 0.7081(2) 0.5069(4) 0.5928(4) 0.0528(17) Uani 1 1 d . . . . .
H6A H 0.694100 0.565919 0.602010 0.079 Uiso 1 1 calc R U . . .
H6B H 0.725321 0.510994 0.547556 0.079 Uiso 1 1 calc R U . . .
H6C H 0.728907 0.489958 0.637432 0.079 Uiso 1 1 calc R U . . .
C7 C 0.54635(8) 0.1666(2) 0.6014(2) 0.0392(15) Uani 1 1 d G . . . .
C8 C 0.51033(11) 0.22595(18) 0.5815(2) 0.0411(15) Uani 1 1 d G . . . .
C9 C 0.46549(10) 0.1994(2) 0.5896(2) 0.0438(15) Uani 1 1 d G . . . .
H9 H 0.440865 0.239957 0.575973 0.053 Uiso 1 1 calc R U . . .
C10 C 0.45667(8) 0.1135(2) 0.6177(2) 0.0465(16) Uani 1 1 d G . . . .
H10 H 0.426018 0.095340 0.623201 0.056 Uiso 1 1 calc R U . . .
C11 C 0.49269(12) 0.05414(19) 0.6376(2) 0.0435(15) Uani 1 1 d G . . . .
H11 H 0.486660 -0.004577 0.656758 0.052 Uiso 1 1 calc R U . . .
C12 C 0.53753(10) 0.0807(2) 0.6295(2) 0.0418(15) Uani 1 1 d G . . . .
C13 C 0.5180(2) 0.3181(4) 0.5436(3) 0.0459(16) Uani 1 1 d . . . . .
H13 H 0.551709 0.330284 0.548580 0.055 Uiso 1 1 calc R U . . .
C14 C 0.4950(2) 0.3954(5) 0.5825(4) 0.0546(17) Uani 1 1 d . . . . .
H14A H 0.461638 0.387449 0.575590 0.082 Uiso 1 1 calc R U . . .
H14B H 0.503227 0.453237 0.559739 0.082 Uiso 1 1 calc R U . . .
H14C H 0.505197 0.395506 0.637284 0.082 Uiso 1 1 calc R U . . .
C15 C 0.5020(3) 0.3151(5) 0.4583(4) 0.0603(19) Uani 1 1 d . . . . .
H15A H 0.514271 0.367635 0.432628 0.091 Uiso 1 1 calc R U . . .
H15B H 0.468392 0.316571 0.451473 0.091 Uiso 1 1 calc R U . . .
H15C H 0.512976 0.259068 0.435934 0.091 Uiso 1 1 calc R U . . .
C16 C 0.5743(2) 0.0052(4) 0.6437(3) 0.0453(15) Uani 1 1 d . . . . .
H16 H 0.604983 0.033962 0.640299 0.054 Uiso 1 1 calc R U . . .
C17 C 0.5686(3) -0.0686(5) 0.5826(4) 0.068(2) Uani 1 1 d . . . . .
H17A H 0.593361 -0.113080 0.591343 0.102 Uiso 1 1 calc R U . . .
H17B H 0.569645 -0.041119 0.531877 0.102 Uiso 1 1 calc R U . . .
H17C H 0.538973 -0.098963 0.585235 0.102 Uiso 1 1 calc R U . . .
C18 C 0.5748(2) -0.0392(4) 0.7224(4) 0.0506(16) Uani 1 1 d . . . . .
H18A H 0.545559 -0.070288 0.726654 0.076 Uiso 1 1 calc R U . . .
H18B H 0.579279 0.007417 0.762190 0.076 Uiso 1 1 calc R U . . .
H18C H 0.599901 -0.083375 0.728729 0.076 Uiso 1 1 calc R U . . .
C19 C 0.67337(18) 0.4088(4) 0.7291(3) 0.0398(15) Uani 1 1 d . . . . .
C20 C 0.71642(19) 0.3739(4) 0.7617(3) 0.0441(15) Uani 1 1 d . . . . .
C21 C 0.7386(2) 0.4175(5) 0.8250(4) 0.0515(17) Uani 1 1 d . . . . .
H21 H 0.767263 0.395026 0.846621 0.062 Uiso 1 1 calc R U . . .
C22 C 0.7197(2) 0.4929(5) 0.8572(4) 0.0567(18) Uani 1 1 d . . . . .
H22 H 0.735474 0.522197 0.900124 0.068 Uiso 1 1 calc R U . . .
C23 C 0.6777(2) 0.5255(5) 0.8262(4) 0.0527(17) Uani 1 1 d . . . . .
H23 H 0.664535 0.576592 0.848983 0.063 Uiso 1 1 calc R U . . .
C24 C 0.65444(19) 0.4852(4) 0.7630(3) 0.0431(15) Uani 1 1 d . . . . .
C25 C 0.7386(2) 0.2898(4) 0.7305(3) 0.0465(16) Uani 1 1 d . . . . .
H25 H 0.714100 0.255504 0.699234 0.056 Uiso 1 1 calc R U . . .
C26 C 0.7591(2) 0.2257(5) 0.7932(4) 0.0530(17) Uani 1 1 d . . . . .
H26A H 0.787252 0.252317 0.818169 0.080 Uiso 1 1 calc R U . . .
H26B H 0.766097 0.167148 0.770513 0.080 Uiso 1 1 calc R U . . .
H26C H 0.736934 0.216690 0.831231 0.080 Uiso 1 1 calc R U . . .
C27 C 0.7759(2) 0.3138(5) 0.6774(4) 0.062(2) Uani 1 1 d . . . . .
H27A H 0.762522 0.351162 0.634789 0.093 Uiso 1 1 calc R U . . .
H27B H 0.788410 0.257909 0.657219 0.093 Uiso 1 1 calc R U . . .
H27C H 0.800552 0.347743 0.706283 0.093 Uiso 1 1 calc R U . . .
C28 C 0.6087(2) 0.5248(4) 0.7319(3) 0.0461(16) Uani 1 1 d . . . . .
H28 H 0.597354 0.488981 0.685533 0.055 Uiso 1 1 calc R U . . .
C29 C 0.5733(2) 0.5154(6) 0.7910(4) 0.0608(19) Uani 1 1 d . . . . .
H29A H 0.584483 0.547163 0.838160 0.091 Uiso 1 1 calc R U . . .
H29B H 0.568883 0.450947 0.802216 0.091 Uiso 1 1 calc R U . . .
H29C H 0.544137 0.541980 0.770337 0.091 Uiso 1 1 calc R U . . .
C30 C 0.6127(3) 0.6242(5) 0.7076(5) 0.065(2) Uani 1 1 d . . . . .
H30A H 0.583078 0.645150 0.683402 0.097 Uiso 1 1 calc R U . . .
H30B H 0.635989 0.629581 0.671130 0.097 Uiso 1 1 calc R U . . .
H30C H 0.621578 0.661607 0.752785 0.097 Uiso 1 1 calc R U . . .
C31 C 0.63779(19) 0.2045(4) 0.7779(3) 0.0434(15) Uani 1 1 d . . . . .
C32 C 0.6551(2) 0.1155(4) 0.7802(4) 0.0477(16) Uani 1 1 d . . . . .
H32 H 0.655940 0.082631 0.733713 0.057 Uiso 1 1 calc R U . . .
C33 C 0.6710(2) 0.0741(5) 0.8492(4) 0.0516(17) Uani 1 1 d . . . . .
H33 H 0.681332 0.012880 0.849037 0.062 Uiso 1 1 calc R U . . .
C34 C 0.6721(2) 0.1204(5) 0.9174(4) 0.0506(17) Uani 1 1 d . . . . .
H34 H 0.683268 0.091279 0.963692 0.061 Uiso 1 1 calc R U . . .
C35 C 0.6568(2) 0.2102(4) 0.9189(3) 0.0479(16) Uani 1 1 d . . . . .
C36 C 0.6395(2) 0.2495(4) 0.8497(3) 0.0441(15) Uani 1 1 d . . . . .
H36 H 0.628325 0.309969 0.850707 0.053 Uiso 1 1 calc R U . . .
C37 C 0.6595(3) 0.2631(6) 0.9925(4) 0.065(2) Uani 1 1 d . . . . .
H37A H 0.628950 0.266370 1.011059 0.098 Uiso 1 1 calc R U . . .
H37B H 0.670570 0.324588 0.983528 0.098 Uiso 1 1 calc R U . . .
H37C H 0.680626 0.232733 1.030870 0.098 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 H 2.42(6) . ?
Sr1 C7 3.127(3) . ?
Sr1 C7 3.127(3) 2_656 ?
Sr1 C8 3.003(3) . ?
Sr1 C8 3.002(4) 2_656 ?
Sr1 C9 2.910(4) . ?
Sr1 C9 2.910(3) 2_656 ?
Sr1 C10 2.948(7) 2_656 ?
Sr1 C10 2.948(4) . ?
Sr1 C11 3.075(10) 2_656 ?
Sr1 C11 3.075(4) . ?
Sr1 C12 3.162(8) 2_656 ?
Sr1 C12 3.162(3) . ?
Si1 N1 1.745(5) . ?
Si1 C1 1.869(7) . ?
Si1 C3 1.883(7) . ?
Si1 C4 1.866(7) . ?
Si2 N2 1.737(5) . ?
Si2 C2 1.882(6) . ?
Si2 C5 1.878(6) . ?
Si2 C6 1.878(6) . ?
Al1 H 1.67(6) . ?
Al1 N1 1.889(5) . ?
Al1 N2 1.856(5) . ?
Al1 C31 1.982(6) . ?
N1 C7 1.463(5) . ?
N2 C19 1.440(7) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.540(9) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
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 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 C9 1.3900 . ?
C8 C13 1.536(6) . ?
C9 H9 0.9500 . ?
C9 C10 1.3900 . ?
C10 H10 0.9500 . ?
C10 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C12 1.3900 . ?
C12 C16 1.552(6) . ?
C13 H13 1.0000 . ?
C13 C14 1.515(9) . ?
C13 C15 1.528(9) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16 1.0000 . ?
C16 C17 1.525(9) . ?
C16 C18 1.525(8) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.431(8) . ?
C19 C24 1.410(8) . ?
C20 C21 1.391(8) . ?
C20 C25 1.524(8) . ?
C21 H21 0.9500 . ?
C21 C22 1.383(10) . ?
C22 H22 0.9500 . ?
C22 C23 1.385(9) . ?
C23 H23 0.9500 . ?
C23 C24 1.381(8) . ?
C24 C28 1.517(8) . ?
C25 H25 1.0000 . ?
C25 C26 1.529(9) . ?
C25 C27 1.540(8) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28 1.0000 . ?
C28 C29 1.537(9) . ?
C28 C30 1.532(9) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.405(8) . ?
C31 C36 1.419(8) . ?
C32 H32 0.9500 . ?
C32 C33 1.397(9) . ?
C33 H33 0.9500 . ?
C33 C34 1.375(9) . ?
C34 H34 0.9500 . ?
C34 C35 1.396(9) . ?
C35 C36 1.398(8) . ?
C35 C37 1.503(9) . ?
C36 H36 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?

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
C7 Sr1 H 138.6(15) 2_656 . ?
C7 Sr1 H 60.1(15) . . ?
C7 Sr1 C7 153.75(12) . 2_656 ?
C7 Sr1 C12 128.22(15) . 2_656 ?
C7 Sr1 C12 25.5 . . ?
C7 Sr1 C12 128.23(12) 2_656 . ?
C7 Sr1 C12 25.53(15) 2_656 2_656 ?
C8 Sr1 H 112.5(15) 2_656 . ?
C8 Sr1 H 63.7(14) . . ?
C8 Sr1 C7 26.1(2) 2_656 2_656 ?
C8 Sr1 C7 26.1 . . ?
C8 Sr1 C7 157.3(3) 2_656 . ?
C8 Sr1 C7 157.3 . 2_656 ?
C8 Sr1 C8 173.7(2) 2_656 . ?
C8 Sr1 C11 131.7(2) 2_656 . ?
C8 Sr1 C11 54.43(16) 2_656 2_656 ?
C8 Sr1 C11 131.74(11) . 2_656 ?
C8 Sr1 C11 54.4 . . ?
C8 Sr1 C12 139.8(2) 2_656 . ?
C8 Sr1 C12 139.84(14) . 2_656 ?
C8 Sr1 C12 45.9 . . ?
C8 Sr1 C12 45.88(12) 2_656 2_656 ?
C9 Sr1 H 89.4(14) . . ?
C9 Sr1 H 95.6(15) 2_656 . ?
C9 Sr1 C7 130.44(6) . 2_656 ?
C9 Sr1 C7 46.8 . . ?
C9 Sr1 C7 130.4(3) 2_656 . ?
C9 Sr1 C7 46.8(3) 2_656 2_656 ?
C9 Sr1 C8 27.1 2_656 2_656 ?
C9 Sr1 C8 154.0(2) 2_656 . ?
C9 Sr1 C8 27.1 . . ?
C9 Sr1 C8 154.0(3) . 2_656 ?
C9 Sr1 C9 171.0(2) 2_656 . ?
C9 Sr1 C10 143.94(18) . 2_656 ?
C9 Sr1 C10 27.44(8) 2_656 2_656 ?
C9 Sr1 C10 27.4 . . ?
C9 Sr1 C10 143.9(2) 2_656 . ?
C9 Sr1 C11 47.34(16) 2_656 2_656 ?
C9 Sr1 C11 123.88(14) . 2_656 ?
C9 Sr1 C11 123.9(2) 2_656 . ?
C9 Sr1 C11 47.3 . . ?
C9 Sr1 C12 119.1(2) 2_656 . ?
C9 Sr1 C12 54.3 . . ?
C9 Sr1 C12 54.30(14) 2_656 2_656 ?
C9 Sr1 C12 119.08(19) . 2_656 ?
C10 Sr1 H 102.1(15) 2_656 . ?
C10 Sr1 H 110.7(14) . . ?
C10 Sr1 C7 54.4(2) 2_656 2_656 ?
C10 Sr1 C7 54.4 . . ?
C10 Sr1 C7 110.7(2) 2_656 . ?
C10 Sr1 C7 110.65(7) . 2_656 ?
C10 Sr1 C8 47.7 . . ?
C10 Sr1 C8 47.72(11) 2_656 2_656 ?
C10 Sr1 C8 136.7(3) . 2_656 ?
C10 Sr1 C8 136.72(19) 2_656 . ?
C10 Sr1 C10 119.2(2) . 2_656 ?
C10 Sr1 C11 96.61(16) 2_656 . ?
C10 Sr1 C11 26.58(11) 2_656 2_656 ?
C10 Sr1 C11 26.6 . . ?
C10 Sr1 C11 96.61(16) . 2_656 ?
C10 Sr1 C12 93.39(19) . 2_656 ?
C10 Sr1 C12 93.39(18) 2_656 . ?
C10 Sr1 C12 46.25(12) 2_656 2_656 ?
C10 Sr1 C12 46.2 . . ?
C11 Sr1 H 105.4(15) . . ?
C11 Sr1 H 126.2(15) 2_656 . ?
C11 Sr1 C7 110.44(10) . 2_656 ?
C11 Sr1 C7 110.44(15) 2_656 . ?
C11 Sr1 C7 45.7 . . ?
C11 Sr1 C7 45.68(14) 2_656 2_656 ?
C11 Sr1 C11 79.38(11) 2_656 . ?
C11 Sr1 C12 86.55(14) 2_656 . ?
C11 Sr1 C12 25.71(9) 2_656 2_656 ?
C11 Sr1 C12 25.7 . . ?
C11 Sr1 C12 86.55(13) . 2_656 ?
C12 Sr1 H 81.2(15) . . ?
C12 Sr1 H 147.9(15) 2_656 . ?
C12 Sr1 C12 102.70(15) . 2_656 ?
N1 Si1 C1 115.1(3) . . ?
N1 Si1 C3 110.7(3) . . ?
N1 Si1 C4 110.5(3) . . ?
C1 Si1 C3 103.0(3) . . ?
C4 Si1 C1 107.0(3) . . ?
C4 Si1 C3 110.2(3) . . ?
N2 Si2 C2 110.9(3) . . ?
N2 Si2 C5 115.4(3) . . ?
N2 Si2 C6 111.1(3) . . ?
C5 Si2 C2 106.4(3) . . ?
C6 Si2 C2 108.6(3) . . ?
C6 Si2 C5 104.0(3) . . ?
Sr1 Al1 H 31(2) . . ?
N1 Al1 Sr1 84.22(14) . . ?
N1 Al1 H 101(2) . . ?
N1 Al1 C31 115.6(2) . . ?
N2 Al1 Sr1 143.33(16) . . ?
N2 Al1 H 112(2) . . ?
N2 Al1 N1 113.9(2) . . ?
N2 Al1 C31 112.4(2) . . ?
C31 Al1 Sr1 84.38(17) . . ?
C31 Al1 H 100(2) . . ?
Si1 N1 Al1 127.7(3) . . ?
C7 N1 Si1 119.6(3) . . ?
C7 N1 Al1 112.6(3) . . ?
Si2 N2 Al1 133.1(3) . . ?
C19 N2 Si2 114.3(4) . . ?
C19 N2 Al1 112.5(3) . . ?
Si1 C1 H1A 107.9 . . ?
Si1 C1 H1B 107.9 . . ?
H1A C1 H1B 107.2 . . ?
C2 C1 Si1 117.5(4) . . ?
C2 C1 H1A 107.9 . . ?
C2 C1 H1B 107.9 . . ?
Si2 C2 H2A 108.3 . . ?
Si2 C2 H2B 108.3 . . ?
C1 C2 Si2 116.0(4) . . ?
C1 C2 H2A 108.3 . . ?
C1 C2 H2B 108.3 . . ?
H2A C2 H2B 107.4 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N1 C7 Sr1 115.5(2) . . ?
C8 C7 Sr1 71.92(11) . . ?
C8 C7 N1 119.6(3) . . ?
C8 C7 C12 120.0 . . ?
C12 C7 Sr1 78.64(12) . . ?
C12 C7 N1 120.1(3) . . ?
C7 C8 Sr1 81.97(12) . . ?
C7 C8 C13 121.8(3) . . ?
C9 C8 Sr1 72.73(12) . . ?
C9 C8 C7 120.0 . . ?
C9 C8 C13 118.0(3) . . ?
C13 C8 Sr1 120.3(3) . . ?
Sr1 C9 H9 112.5 . . ?
C8 C9 Sr1 80.14(12) . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.0 . . ?
C10 C9 Sr1 77.78(13) . . ?
C10 C9 H9 120.0 . . ?
Sr1 C10 H10 113.9 . . ?
C9 C10 Sr1 74.78(12) . . ?
C9 C10 H10 120.0 . . ?
C9 C10 C11 120.0 . . ?
C11 C10 Sr1 81.82(12) . . ?
C11 C10 H10 120.0 . . ?
Sr1 C11 H11 118.5 . . ?
C10 C11 Sr1 71.60(12) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 Sr1 80.67(12) . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C7 C12 Sr1 75.83(11) . . ?
C7 C12 C16 124.1(3) . . ?
C11 C12 Sr1 73.63(12) . . ?
C11 C12 C7 120.0 . . ?
C11 C12 C16 115.5(3) . . ?
C16 C12 Sr1 128.2(3) . . ?
C8 C13 H13 107.6 . . ?
C14 C13 C8 112.4(5) . . ?
C14 C13 H13 107.6 . . ?
C14 C13 C15 110.7(5) . . ?
C15 C13 C8 110.7(5) . . ?
C15 C13 H13 107.6 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C12 C16 H16 107.5 . . ?
C17 C16 C12 111.5(5) . . ?
C17 C16 H16 107.5 . . ?
C17 C16 C18 108.7(5) . . ?
C18 C16 C12 113.7(4) . . ?
C18 C16 H16 107.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 N2 119.9(5) . . ?
C24 C19 N2 121.2(5) . . ?
C24 C19 C20 118.9(5) . . ?
C19 C20 C25 122.5(5) . . ?
C21 C20 C19 118.9(5) . . ?
C21 C20 C25 118.6(5) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 C20 121.5(6) . . ?
C22 C21 H21 119.3 . . ?
C21 C22 H22 120.3 . . ?
C21 C22 C23 119.4(6) . . ?
C23 C22 H22 120.3 . . ?
C22 C23 H23 119.3 . . ?
C24 C23 C22 121.5(6) . . ?
C24 C23 H23 119.3 . . ?
C19 C24 C28 121.6(5) . . ?
C23 C24 C19 119.8(5) . . ?
C23 C24 C28 118.6(5) . . ?
C20 C25 H25 107.3 . . ?
C20 C25 C26 113.3(5) . . ?
C20 C25 C27 112.3(5) . . ?
C26 C25 H25 107.3 . . ?
C26 C25 C27 108.9(5) . . ?
C27 C25 H25 107.3 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C24 C28 H28 107.9 . . ?
C24 C28 C29 110.5(5) . . ?
C24 C28 C30 112.3(5) . . ?
C29 C28 H28 107.9 . . ?
C30 C28 H28 107.9 . . ?
C30 C28 C29 110.3(6) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 Al1 126.0(4) . . ?
C32 C31 C36 115.3(5) . . ?
C36 C31 Al1 118.7(4) . . ?
C31 C32 H32 119.2 . . ?
C33 C32 C31 121.5(6) . . ?
C33 C32 H32 119.2 . . ?
C32 C33 H33 119.5 . . ?
C34 C33 C32 121.0(6) . . ?
C34 C33 H33 119.5 . . ?
C33 C34 H34 119.8 . . ?
C33 C34 C35 120.3(6) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 C36 117.8(6) . . ?
C34 C35 C37 121.0(6) . . ?
C36 C35 C37 121.1(6) . . ?
C31 C36 H36 118.0 . . ?
C35 C36 C31 123.9(6) . . ?
C35 C36 H36 118.0 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?

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 Al1 N1 Si1 -179.8(3) . . . . ?
Sr1 Al1 N1 C7 4.4(3) . . . . ?
Sr1 Al1 N2 Si2 -98.1(4) . . . . ?
Sr1 Al1 N2 C19 78.9(4) . . . . ?
Sr1 C7 C8 C9 -64.68(12) . . . . ?
Sr1 C7 C8 C13 120.8(4) . . . . ?
Sr1 C7 C12 C11 61.22(11) . . . . ?
Sr1 C7 C12 C16 -126.8(4) . . . . ?
Sr1 C8 C9 C10 -69.60(12) . . . . ?
Sr1 C8 C13 C14 -31.2(6) . . . . ?
Sr1 C8 C13 C15 -155.5(4) . . . . ?
Sr1 C9 C10 C11 -70.89(12) . . . . ?
Sr1 C10 C11 C12 -67.09(12) . . . . ?
Sr1 C11 C12 C7 -62.34(11) . . . . ?
Sr1 C11 C12 C16 125.0(3) . . . . ?
Sr1 C12 C16 C17 155.5(4) . . . . ?
Sr1 C12 C16 C18 32.1(6) . . . . ?
Si1 N1 C7 Sr1 178.1(2) . . . . ?
Si1 N1 C7 C8 -99.0(3) . . . . ?
Si1 N1 C7 C12 86.7(4) . . . . ?
Si1 C1 C2 Si2 -81.4(6) . . . . ?
Si2 N2 C19 C20 -94.9(5) . . . . ?
Si2 N2 C19 C24 83.6(6) . . . . ?
Al1 N1 C7 Sr1 -5.8(4) . . . . ?
Al1 N1 C7 C8 77.1(4) . . . . ?
Al1 N1 C7 C12 -97.1(3) . . . . ?
Al1 N2 C19 C20 87.5(5) . . . . ?
Al1 N2 C19 C24 -94.0(5) . . . . ?
Al1 C31 C32 C33 -179.1(5) . . . . ?
Al1 C31 C36 C35 -178.8(5) . . . . ?
N1 Si1 C1 C2 69.5(5) . . . . ?
N1 Al1 N2 Si2 16.1(5) . . . . ?
N1 Al1 N2 C19 -166.9(4) . . . . ?
N1 C7 C8 Sr1 -109.5(3) . . . . ?
N1 C7 C8 C9 -174.2(4) . . . . ?
N1 C7 C8 C13 11.3(4) . . . . ?
N1 C7 C12 Sr1 113.0(3) . . . . ?
N1 C7 C12 C11 174.2(4) . . . . ?
N1 C7 C12 C16 -13.8(4) . . . . ?
N2 Si2 C2 C1 75.9(5) . . . . ?
N2 Al1 N1 Si1 33.4(4) . . . . ?
N2 Al1 N1 C7 -142.4(3) . . . . ?
N2 C19 C20 C21 177.4(5) . . . . ?
N2 C19 C20 C25 -3.6(8) . . . . ?
N2 C19 C24 C23 -177.9(5) . . . . ?
N2 C19 C24 C28 2.2(8) . . . . ?
C1 Si1 N1 Al1 -56.9(4) . . . . ?
C1 Si1 N1 C7 118.6(4) . . . . ?
C2 Si2 N2 Al1 -54.0(5) . . . . ?
C2 Si2 N2 C19 129.1(4) . . . . ?
C3 Si1 N1 Al1 -173.1(4) . . . . ?
C3 Si1 N1 C7 2.4(5) . . . . ?
C3 Si1 C1 C2 -170.0(5) . . . . ?
C4 Si1 N1 Al1 64.5(4) . . . . ?
C4 Si1 N1 C7 -120.0(4) . . . . ?
C4 Si1 C1 C2 -53.8(5) . . . . ?
C5 Si2 N2 Al1 67.1(5) . . . . ?
C5 Si2 N2 C19 -109.8(4) . . . . ?
C5 Si2 C2 C1 -50.4(5) . . . . ?
C6 Si2 N2 Al1 -174.8(4) . . . . ?
C6 Si2 N2 C19 8.2(5) . . . . ?
C6 Si2 C2 C1 -161.8(5) . . . . ?
C7 C8 C9 Sr1 69.60(12) . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C7 C8 C13 C14 -131.1(4) . . . . ?
C7 C8 C13 C15 104.6(5) . . . . ?
C7 C12 C16 C17 -105.5(5) . . . . ?
C7 C12 C16 C18 131.1(4) . . . . ?
C8 C7 C12 Sr1 -61.22(11) . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
C8 C7 C12 C16 172.0(4) . . . . ?
C8 C9 C10 Sr1 70.89(12) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C8 C13 C14 54.3(6) . . . . ?
C9 C8 C13 C15 -70.0(5) . . . . ?
C9 C10 C11 Sr1 67.09(12) . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 Sr1 62.34(11) . . . . ?
C10 C11 C12 C7 0.0 . . . . ?
C10 C11 C12 C16 -172.7(4) . . . . ?
C11 C12 C16 C17 66.8(6) . . . . ?
C11 C12 C16 C18 -56.6(5) . . . . ?
C12 C7 C8 Sr1 64.68(12) . . . . ?
C12 C7 C8 C9 0.0 . . . . ?
C12 C7 C8 C13 -174.5(4) . . . . ?
C13 C8 C9 Sr1 -115.7(3) . . . . ?
C13 C8 C9 C10 174.7(4) . . . . ?
C19 C20 C21 C22 0.5(10) . . . . ?
C19 C20 C25 C26 -137.3(6) . . . . ?
C19 C20 C25 C27 98.8(7) . . . . ?
C19 C24 C28 C29 115.6(6) . . . . ?
C19 C24 C28 C30 -120.8(6) . . . . ?
C20 C19 C24 C23 0.6(8) . . . . ?
C20 C19 C24 C28 -179.3(5) . . . . ?
C20 C21 C22 C23 0.6(11) . . . . ?
C21 C20 C25 C26 41.7(8) . . . . ?
C21 C20 C25 C27 -82.2(7) . . . . ?
C21 C22 C23 C24 -1.1(11) . . . . ?
C22 C23 C24 C19 0.5(10) . . . . ?
C22 C23 C24 C28 -179.6(6) . . . . ?
C23 C24 C28 C29 -64.3(7) . . . . ?
C23 C24 C28 C30 59.4(8) . . . . ?
C24 C19 C20 C21 -1.1(8) . . . . ?
C24 C19 C20 C25 177.9(5) . . . . ?
C25 C20 C21 C22 -178.5(6) . . . . ?
C31 Al1 N1 Si1 -98.9(4) . . . . ?
C31 Al1 N1 C7 85.4(4) . . . . ?
C31 Al1 N2 Si2 149.9(4) . . . . ?
C31 Al1 N2 C19 -33.1(5) . . . . ?
C31 C32 C33 C34 -2.6(10) . . . . ?
C32 C31 C36 C35 -0.3(9) . . . . ?
C32 C33 C34 C35 0.5(10) . . . . ?
C33 C34 C35 C36 1.6(9) . . . . ?
C33 C34 C35 C37 -177.5(6) . . . . ?
C34 C35 C36 C31 -1.7(9) . . . . ?
C36 C31 C32 C33 2.4(9) . . . . ?
C37 C35 C36 C31 177.4(6) . . . . ?

_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 1.603
_oxdiff_exptl_absorpt_empirical_full_min 0.662
