# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2261586'
loop_
_audit_author_name
_audit_author_address
'Pengkun Wang'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2023-05-09 deposited with the CCDC.	2023-08-18 downloaded from the CCDC.
;
_audit_creation_date             2023-05-09
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            '[Sr(DOBPDC)DMF]n'
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15.5 H11.5 N0.5 O6.5 Sr'
_chemical_formula_sum            'C15.50 H11.50 N0.50 O6.50 Sr'
_chemical_formula_weight         396.37
_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'
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'
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                   23.5393(4)
_cell_length_b                   9.0137(2)
_cell_length_c                   13.6655(3)
_cell_angle_alpha                90
_cell_angle_beta                 105.235(2)
_cell_angle_gamma                90
_cell_volume                     2797.59(10)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    5830
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      76.0390
_cell_measurement_theta_min      3.8710
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.709
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87984
_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_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.882
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_unetI/netI     0.0316
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9232
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.612
_diffrn_reflns_theta_min         3.893
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -7.00  27.00   0.50    0.05    --  -46.41  19.00-180.00   68
  2  ω    -60.00 -34.00   0.50    0.06    -- -105.53  61.00-180.00   52
  3  ω   -105.00 -47.00   0.50    0.06    -- -105.53  77.00  30.00  116
  4  ω    -29.00  15.00   0.50    0.05    --  -46.41  31.00  46.00   88
  5  ω    -65.00 -34.00   0.50    0.06    -- -105.53  61.00 150.00   62
  6  ω   -109.00 -83.00   0.50    0.06    -- -105.53 125.00 150.00   52
  7  ω   -127.00 -91.00   0.50    0.06    -- -105.53 -31.00-113.00   72
  8  ω   -177.00-151.00   0.50    0.06    -- -105.53 -31.00-113.00   52
  9  ω   -109.00 -39.00   0.50    0.05    --  -46.41 -31.00-113.00  140
 10  ω   -101.00 -48.00   0.50    0.06    -- -105.53 125.00-180.00  106
 11  ω    -76.00 -48.00   0.50    0.06    -- -105.53 125.00 150.00   56
 12  ω    -22.00  36.00   0.50    0.05    --   49.53 -38.00  90.00  116
 13  ω    -19.00   6.00   0.50    0.05    --   49.53 -31.00-113.00   50
 14  ω     93.00 175.00   0.50    0.06    --  108.65  31.00  46.00  164
 15  ω     44.00 114.00   0.50    0.05    --   49.53  31.00  46.00  140
 16  ω     44.00  70.00   0.50    0.06    --  108.65 -61.00  90.00   52
 17  ω     46.00  71.00   0.50    0.06    --  108.65 -61.00 120.00   50
 18  ω     36.00  64.00   0.50    0.06    --  108.65 -61.00  30.00   56
 19  ω     46.00  71.00   0.50    0.06    --  108.65 -61.00   0.00   50
 20  ω     36.00  64.00   0.50    0.06    --  108.65 -61.00 -30.00   56
 21  ω     40.00  70.00   0.50    0.06    --  108.65 -61.00 -60.00   60
 22  ω     45.00  70.00   0.50    0.06    --  108.65 -61.00-120.00   50
 23  ω     36.00  71.00   0.50    0.06    --  108.65 -61.00 -90.00   70
 24  ω     38.00  63.00   0.50    0.06    --  108.65 -61.00  60.00   50
 25  ω     56.00  87.00   0.50    0.06    --  108.65 -95.00   0.00   62
 26  ω     36.00  73.00   0.50    0.06    --  108.65 -95.00 -90.00   74
 27  ω     78.00 103.00   0.50    0.06    --  108.65 -95.00 -90.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0627437000
_diffrn_orient_matrix_UB_12      0.0594436000
_diffrn_orient_matrix_UB_13      -0.0458340000
_diffrn_orient_matrix_UB_21      0.0053630000
_diffrn_orient_matrix_UB_22      -0.0381397000
_diffrn_orient_matrix_UB_23      -0.1071318000
_diffrn_orient_matrix_UB_31      -0.0252243000
_diffrn_orient_matrix_UB_32      -0.1555971000
_diffrn_orient_matrix_UB_33      0.0087080000
_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                2619
_reflns_number_total             2839
_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 1.171.42.72a (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 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.714
_refine_diff_density_min         -0.489
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         2839
_refine_ls_number_restraints     14
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0291
_refine_ls_restrained_S_all      1.084
_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)+(0.0433P)²+2.2062P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0756
_refine_ls_wR_factor_ref         0.0772
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C3-C2
 2.3 with sigma of 0.02
 C2-C3
 2.5 with sigma of 0.02
2. Uiso/Uaniso restraints and constraints
Uanis(C2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: C1(0.5) H1(0.5) C2(0.5) H2A(0.5) H2B(0.5) H2C(0.5) C3(0.5)
 H3A(0.5) H3B(0.5) H3C(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C7(H7), C11(H11), C10(H10), C15(H15), C17(H17), C16(H16), C1(H1)
4.b Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C3(H3A,H3B,H3C)
;
_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 0.53379(2) 0.65251(2) 0.12642(2) 0.02505(10) Uani 1 1 d . . . . .
O6 O 0.95488(8) 0.11377(19) 0.93985(14) 0.0331(4) Uani 1 1 d . . . . .
O4 O 0.59394(8) 0.3568(2) 0.48672(15) 0.0328(4) Uani 1 1 d . . . . .
O3 O 0.55947(7) 0.5328(2) 0.33476(13) 0.0333(4) Uani 1 1 d . . . . .
O2 O 0.62603(8) 0.64973(19) 0.27405(14) 0.0369(4) Uani 1 1 d . . . . .
O5 O 0.91470(8) 0.5598(2) 0.88689(15) 0.0363(4) Uani 1 1 d . . . . .
O1 O 0.500000 0.8248(3) 0.250000 0.0379(6) Uani 1 2 d S T P . .
O7 O 0.96794(9) 0.34172(18) 1.00109(15) 0.0412(5) Uani 1 1 d . . . . .
C13 C 0.93931(10) 0.2476(3) 0.93861(17) 0.0277(5) Uani 1 1 d . . . . .
C12 C 0.88660(10) 0.3008(3) 0.85926(17) 0.0282(5) Uani 1 1 d . . . . .
C6 C 0.64841(10) 0.4187(3) 0.49936(17) 0.0268(5) Uani 1 1 d . . . . .
C14 C 0.87811(10) 0.4522(3) 0.83457(18) 0.0276(5) Uani 1 1 d . . . . .
C7 C 0.69266(11) 0.3733(3) 0.58315(18) 0.0289(5) Uani 1 1 d . . . . .
H7 H 0.684892 0.300907 0.626348 0.035 Uiso 1 1 calc R U . . .
C5 C 0.65955(10) 0.5238(3) 0.43133(17) 0.0271(5) Uani 1 1 d . . . . .
C4 C 0.61244(10) 0.5738(3) 0.34072(17) 0.0272(5) Uani 1 1 d . . . . .
C11 C 0.84670(11) 0.1986(3) 0.8031(2) 0.0320(5) Uani 1 1 d . . . . .
H11 H 0.851090 0.098577 0.820162 0.038 Uiso 1 1 calc R U . . .
C9 C 0.79483(11) 0.3913(3) 0.69410(19) 0.0306(5) Uani 1 1 d . . . . .
C8 C 0.74835(11) 0.4360(3) 0.60236(18) 0.0304(5) Uani 1 1 d . . . . .
C10 C 0.80089(11) 0.2424(3) 0.72299(19) 0.0334(5) Uani 1 1 d . . . . .
H10 H 0.773974 0.172642 0.688105 0.040 Uiso 1 1 calc R U . . .
C15 C 0.83308(11) 0.4960(3) 0.75112(19) 0.0326(5) Uani 1 1 d . . . . .
H15 H 0.828549 0.595793 0.733446 0.039 Uiso 1 1 calc R U . . .
C17 C 0.71627(11) 0.5800(3) 0.4488(2) 0.0349(6) Uani 1 1 d . . . . .
H17 H 0.724904 0.646443 0.402674 0.042 Uiso 1 1 calc R U . . .
C16 C 0.76028(11) 0.5390(3) 0.5336(2) 0.0386(6) Uani 1 1 d . . . . .
H16 H 0.797721 0.579874 0.544796 0.046 Uiso 1 1 calc R U . . .
N1 N 0.500000 1.0744(4) 0.250000 0.0669(13) Uani 1 2 d S TU P . .
C1 C 0.5171(3) 0.9516(7) 0.2790(4) 0.0438(13) Uani 0.5 1 d . . P A -1
H1 H 0.549884 0.952143 0.334611 0.053 Uiso 0.5 1 calc R U P A -1
C2 C 0.5149(6) 1.2162(7) 0.2731(8) 0.075(4) Uani 0.5 1 d D U P A -1
H2A H 0.544485 1.220418 0.336567 0.112 Uiso 0.5 1 calc R U P A -1
H2B H 0.480797 1.270660 0.278451 0.112 Uiso 0.5 1 calc R U P A -1
H2C H 0.530064 1.258993 0.220776 0.112 Uiso 0.5 1 calc R U P A -1
C3 C 0.4404(3) 1.0709(8) 0.1511(5) 0.0550(16) Uani 0.5 1 d D . P A -1
H3A H 0.451974 1.088690 0.089749 0.083 Uiso 0.5 1 calc R U P A -1
H3B H 0.413350 1.146518 0.159355 0.083 Uiso 0.5 1 calc R U P A -1
H3C H 0.421831 0.975581 0.147409 0.083 Uiso 0.5 1 calc R U P A -1
H4 H 0.576(2) 0.394(6) 0.439(4) 0.105(19) Uiso 1 1 d . . . . .
H5 H 0.9332(18) 0.519(5) 0.935(3) 0.063(12) Uiso 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 Sr1 4.0942(4) 2_655 ?
Sr1 O6 2.6037(18) 7_656 ?
Sr1 O6 2.7538(17) 3_454 ?
Sr1 O4 2.660(2) 6_565 ?
Sr1 O3 2.6224(18) 2_655 ?
Sr1 O3 2.9549(17) . ?
Sr1 O2 2.5462(18) . ?
Sr1 O5 2.8885(18) 7_666 ?
Sr1 O1 2.5697(15) . ?
Sr1 O7 2.6171(18) 3_454 ?
O6 C13 1.260(3) . ?
O4 C6 1.367(3) . ?
O4 H4 0.76(6) . ?
O3 C4 1.282(3) . ?
O2 C4 1.247(3) . ?
O5 C14 1.368(3) . ?
O5 H5 0.78(4) . ?
O1 C1 1.241(6) . ?
O1 C1 1.241(6) 2_655 ?
O7 C13 1.265(3) . ?
C13 C12 1.496(3) . ?
C12 C14 1.407(3) . ?
C12 C11 1.393(4) . ?
C6 C7 1.392(3) . ?
C6 C5 1.399(3) . ?
C14 C15 1.395(3) . ?
C7 H7 0.9300 . ?
C7 C8 1.388(4) . ?
C5 C4 1.498(3) . ?
C5 C17 1.389(3) . ?
C11 H11 0.9300 . ?
C11 C10 1.377(3) . ?
C9 C8 1.487(3) . ?
C9 C10 1.396(4) . ?
C9 C15 1.393(4) . ?
C8 C16 1.401(4) . ?
C10 H10 0.9300 . ?
C15 H15 0.9300 . ?
C17 H17 0.9300 . ?
C17 C16 1.386(3) . ?
C16 H16 0.9300 . ?
N1 C1 1.209(7) . ?
N1 C1 1.209(7) 2_655 ?
N1 C2 1.341(7) . ?
N1 C3 1.672(7) . ?
C1 H1 0.9300 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?

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
O6 Sr1 Sr1 116.74(4) 3_454 2_655 ?
O6 Sr1 Sr1 112.61(4) 7_656 2_655 ?
O6 Sr1 O6 70.55(6) 7_656 3_454 ?
O6 Sr1 O4 66.34(6) 7_656 6_565 ?
O6 Sr1 O3 89.13(5) 7_656 . ?
O6 Sr1 O3 81.88(6) 7_656 2_655 ?
O6 Sr1 O3 139.74(5) 3_454 . ?
O6 Sr1 O5 104.35(5) 3_454 7_666 ?
O6 Sr1 O5 136.27(6) 7_656 7_666 ?
O6 Sr1 O7 118.06(6) 7_656 3_454 ?
O4 Sr1 Sr1 170.92(4) 6_565 2_655 ?
O4 Sr1 O6 71.84(6) 6_565 3_454 ?
O4 Sr1 O3 131.85(5) 6_565 . ?
O4 Sr1 O5 70.84(6) 6_565 7_666 ?
O3 Sr1 Sr1 39.70(3) . 2_655 ?
O3 Sr1 Sr1 46.03(4) 2_655 2_655 ?
O3 Sr1 O6 74.83(5) 2_655 3_454 ?
O3 Sr1 O4 139.81(5) 2_655 6_565 ?
O3 Sr1 O3 67.97(6) 2_655 . ?
O3 Sr1 O5 140.33(6) 2_655 7_666 ?
O2 Sr1 Sr1 77.39(5) . 2_655 ?
O2 Sr1 O6 163.66(6) . 3_454 ?
O2 Sr1 O6 97.04(6) . 7_656 ?
O2 Sr1 O4 93.69(6) . 6_565 ?
O2 Sr1 O3 46.92(5) . . ?
O2 Sr1 O3 114.87(6) . 2_655 ?
O2 Sr1 O5 76.94(5) . 7_666 ?
O2 Sr1 O1 80.33(5) . . ?
O2 Sr1 O7 139.47(6) . 3_454 ?
O5 Sr1 Sr1 108.21(4) 7_666 2_655 ?
O5 Sr1 O3 113.92(5) 7_666 . ?
O1 Sr1 Sr1 37.19(4) . 2_655 ?
O1 Sr1 O6 115.80(4) . 3_454 ?
O1 Sr1 O6 149.71(6) . 7_656 ?
O1 Sr1 O4 143.68(6) . 6_565 ?
O1 Sr1 O3 72.28(5) . 2_655 ?
O1 Sr1 O3 66.91(5) . . ?
O1 Sr1 O5 72.92(6) . 7_666 ?
O1 Sr1 O7 78.69(6) . 3_454 ?
O7 Sr1 Sr1 104.37(5) 3_454 2_655 ?
O7 Sr1 O6 48.50(5) 3_454 3_454 ?
O7 Sr1 O4 83.48(7) 3_454 6_565 ?
O7 Sr1 O3 143.57(6) 3_454 . ?
O7 Sr1 O3 90.99(6) 3_454 2_655 ?
O7 Sr1 O5 63.90(6) 3_454 7_666 ?
Sr1 O6 Sr1 109.46(6) 7_656 3_546 ?
C13 O6 Sr1 90.81(13) . 3_546 ?
C13 O6 Sr1 159.10(15) . 7_656 ?
Sr1 O4 H4 111(4) 6_566 . ?
C6 O4 Sr1 125.49(15) . 6_566 ?
C6 O4 H4 103(4) . . ?
Sr1 O3 Sr1 94.27(5) 2_655 . ?
C4 O3 Sr1 84.57(13) . . ?
C4 O3 Sr1 136.08(15) . 2_655 ?
C4 O2 Sr1 104.79(15) . . ?
Sr1 O5 H5 109(3) 7_666 . ?
C14 O5 Sr1 145.19(15) . 7_666 ?
C14 O5 H5 104(3) . . ?
Sr1 O1 Sr1 105.62(9) 2_655 . ?
C1 O1 Sr1 129.5(3) 2_655 2_655 ?
C1 O1 Sr1 118.5(3) . 2_655 ?
C1 O1 Sr1 129.5(3) . . ?
C1 O1 Sr1 118.5(3) 2_655 . ?
C1 O1 C1 46.0(6) . 2_655 ?
C13 O7 Sr1 97.11(14) . 3_546 ?
O6 C13 Sr1 64.75(12) . 3_546 ?
O6 C13 O7 122.1(2) . . ?
O6 C13 C12 120.0(2) . . ?
O7 C13 Sr1 58.54(12) . 3_546 ?
O7 C13 C12 117.9(2) . . ?
C12 C13 Sr1 169.84(16) . 3_546 ?
C14 C12 C13 121.5(2) . . ?
C11 C12 C13 119.9(2) . . ?
C11 C12 C14 118.5(2) . . ?
O4 C6 C7 117.3(2) . . ?
O4 C6 C5 121.7(2) . . ?
C7 C6 C5 121.0(2) . . ?
O5 C14 C12 122.2(2) . . ?
O5 C14 C15 117.7(2) . . ?
C15 C14 C12 120.0(2) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 C6 120.1(2) . . ?
C8 C7 H7 119.9 . . ?
C6 C5 C4 121.7(2) . . ?
C17 C5 C6 118.2(2) . . ?
C17 C5 C4 120.1(2) . . ?
O3 C4 C5 117.5(2) . . ?
O2 C4 O3 122.9(2) . . ?
O2 C4 C5 119.5(2) . . ?
C12 C11 H11 119.3 . . ?
C10 C11 C12 121.5(2) . . ?
C10 C11 H11 119.3 . . ?
C10 C9 C8 119.8(2) . . ?
C15 C9 C8 120.8(2) . . ?
C15 C9 C10 119.4(2) . . ?
C7 C8 C9 119.9(2) . . ?
C7 C8 C16 119.3(2) . . ?
C16 C8 C9 120.8(2) . . ?
C11 C10 C9 120.1(2) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C14 C15 H15 119.8 . . ?
C9 C15 C14 120.4(2) . . ?
C9 C15 H15 119.8 . . ?
C5 C17 H17 119.3 . . ?
C16 C17 C5 121.4(2) . . ?
C16 C17 H17 119.3 . . ?
C8 C16 H16 120.0 . . ?
C17 C16 C8 120.0(2) . . ?
C17 C16 H16 120.0 . . ?
C1 N1 C1 47.3(6) 2_655 . ?
C1 N1 C2 173.8(5) 2_655 . ?
C1 N1 C2 138.8(5) . . ?
C1 N1 C3 65.3(4) 2_655 . ?
C1 N1 C3 112.6(4) . . ?
C2 N1 C3 108.7(5) . . ?
O1 C1 H1 113.3 . . ?
N1 C1 O1 133.3(5) . . ?
N1 C1 H1 113.3 . . ?
N1 C2 H2A 109.5 . . ?
N1 C2 H2B 109.5 . . ?
N1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N1 C3 H3A 109.5 . . ?
N1 C3 H3B 109.5 . . ?
N1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 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 O6 C13 Sr1 -166.1(5) 7_656 . . 3_546 ?
Sr1 O6 C13 O7 12.3(3) 3_546 . . . ?
Sr1 O6 C13 O7 -153.8(3) 7_656 . . . ?
Sr1 O6 C13 C12 24.0(6) 7_656 . . . ?
Sr1 O6 C13 C12 -169.8(2) 3_546 . . . ?
Sr1 O4 C6 C7 52.4(3) 6_566 . . . ?
Sr1 O4 C6 C5 -127.4(2) 6_566 . . . ?
Sr1 O3 C4 O2 8.5(2) . . . . ?
Sr1 O3 C4 O2 -82.0(3) 2_655 . . . ?
Sr1 O3 C4 C5 99.4(2) 2_655 . . . ?
Sr1 O3 C4 C5 -170.05(19) . . . . ?
Sr1 O2 C4 O3 -10.2(3) . . . . ?
Sr1 O2 C4 C5 168.35(17) . . . . ?
Sr1 O5 C14 C12 148.7(2) 7_666 . . . ?
Sr1 O5 C14 C15 -27.9(4) 7_666 . . . ?
Sr1 O1 C1 N1 -118.8(6) 2_655 . . . ?
Sr1 O1 C1 N1 93.6(7) . . . . ?
Sr1 O7 C13 O6 -13.0(3) 3_546 . . . ?
Sr1 O7 C13 C12 169.04(18) 3_546 . . . ?
Sr1 C13 C12 C14 85.0(10) 3_546 . . . ?
Sr1 C13 C12 C11 -99.4(10) 3_546 . . . ?
O6 C13 C12 C14 -159.8(2) . . . . ?
O6 C13 C12 C11 15.7(4) . . . . ?
O4 C6 C7 C8 -177.6(2) . . . . ?
O4 C6 C5 C4 -0.2(4) . . . . ?
O4 C6 C5 C17 -179.2(2) . . . . ?
O5 C14 C15 C9 179.2(2) . . . . ?
O7 C13 C12 C14 18.1(4) . . . . ?
O7 C13 C12 C11 -166.3(2) . . . . ?
C13 C12 C14 O5 -5.4(4) . . . . ?
C13 C12 C14 C15 171.2(2) . . . . ?
C13 C12 C11 C10 -173.6(2) . . . . ?
C12 C14 C15 C9 2.5(4) . . . . ?
C12 C11 C10 C9 2.3(4) . . . . ?
C6 C7 C8 C9 177.7(2) . . . . ?
C6 C7 C8 C16 -3.5(4) . . . . ?
C6 C5 C4 O3 9.4(3) . . . . ?
C6 C5 C4 O2 -169.2(2) . . . . ?
C6 C5 C17 C16 -2.9(4) . . . . ?
C14 C12 C11 C10 2.1(4) . . . . ?
C7 C6 C5 C4 179.9(2) . . . . ?
C7 C6 C5 C17 1.0(4) . . . . ?
C7 C8 C16 C17 1.6(4) . . . . ?
C5 C6 C7 C8 2.2(4) . . . . ?
C5 C17 C16 C8 1.7(4) . . . . ?
C4 C5 C17 C16 178.1(2) . . . . ?
C11 C12 C14 O5 179.0(2) . . . . ?
C11 C12 C14 C15 -4.5(4) . . . . ?
C9 C8 C16 C17 -179.6(3) . . . . ?
C8 C9 C10 C11 174.9(2) . . . . ?
C8 C9 C15 C14 -177.3(2) . . . . ?
C10 C9 C8 C7 41.4(4) . . . . ?
C10 C9 C8 C16 -137.4(3) . . . . ?
C10 C9 C15 C14 1.9(4) . . . . ?
C15 C9 C8 C7 -139.5(3) . . . . ?
C15 C9 C8 C16 41.8(4) . . . . ?
C15 C9 C10 C11 -4.3(4) . . . . ?
C17 C5 C4 O3 -171.6(2) . . . . ?
C17 C5 C4 O2 9.8(4) . . . . ?
C1 O1 C1 N1 0.000(2) 2_655 . . . ?
C1 N1 C1 O1 0.000(2) 2_655 . . . ?
C2 N1 C1 O1 -178.5(10) . . . . ?
C3 N1 C1 O1 0.9(8) . . . . ?

_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 1.199
_oxdiff_exptl_absorpt_empirical_full_min 0.819
