# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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 1567679'
_audit_update_record             
;
2017-08-09 deposited with the CCDC.
2017-11-10 downloaded from the CCDC.
;
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 -0.003 903 134 ' '
_platon_squeeze_details          
;
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C9 H6 N O6 Sr'
_chemical_formula_weight         311.77

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   P6222

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z+1/3'
'-y, x-y, z+2/3'
'-x, -y, z'
'-x+y, -x, z+1/3'
'y, -x+y, z+2/3'
'-y, -x, -z+2/3'
'x-y, -y, -z'
'x, x-y, -z+1/3'
'y, x, -z+2/3'
'-x+y, y, -z'
'-x, -x+y, -z+1/3'

_cell_length_a                   13.4335(15)
_cell_length_b                   13.4335(15)
_cell_length_c                   23.428(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     3661.4(7)
_cell_formula_units_Z            12
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4528
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      23.54

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1836
_exptl_absorpt_coefficient_mu    4.432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5374
_exptl_absorpt_correction_T_max  0.6413
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18110
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.95
_diffrn_reflns_theta_max         25.10
_reflns_number_total             2160
_reflns_number_gt                1850
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1161P)²+30.3181P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(6)
_refine_ls_number_reflns         2160
_refine_ls_number_parameters     157
_refine_ls_number_restraints     42
_refine_ls_R_factor_all          0.1050
_refine_ls_R_factor_gt           0.0957
_refine_ls_wR_factor_ref         0.2439
_refine_ls_wR_factor_gt          0.2360
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr 0.66142(8) 0.32283(17) 0.0000 0.0685(7) Uani 1 2 d S . .
Sr2 Sr 0.5000 0.5000 -0.07520(8) 0.0622(6) Uani 1 2 d S . .
O1 O 0.4770(10) 0.3730(9) 0.0096(4) 0.088(4) Uani 1 1 d . . .
O2 O 0.5124(14) 0.2842(11) 0.0755(4) 0.088(4) Uani 1 1 d . . .
O5 O 0.3290(14) 0.4656(11) 0.3053(4) 0.095(4) Uani 1 1 d U . .
N1 N 0.3817(9) 0.3582(10) 0.2589(4) 0.055(3) Uani 1 1 d . . .
H1 H 0.4086 0.3126 0.2637 0.066 Uiso 1 1 calc R . .
C1 C 0.4670(12) 0.3361(14) 0.0580(7) 0.079(6) Uani 1 1 d D . .
C2 C 0.4011(11) 0.3630(12) 0.1014(5) 0.080(6) Uani 1 1 d D . .
C3 C 0.3286(12) 0.4056(16) 0.0872(6) 0.080(5) Uani 1 1 d U . .
H3 H 0.3183 0.4170 0.0489 0.096 Uiso 1 1 calc R . .
C4 C 0.2721(13) 0.4312(16) 0.1282(7) 0.095(6) Uani 1 1 d DU . .
C5 C 0.2870(12) 0.4184(16) 0.1869(5) 0.079(6) Uani 1 1 d . . .
H5 H 0.2506 0.4376 0.2150 0.095 Uiso 1 1 calc R . .
C6 C 0.3615(12) 0.3743(13) 0.2007(5) 0.061(4) Uani 1 1 d . . .
C7 C 0.4167(12) 0.3488(12) 0.1594(5) 0.060(3) Uani 1 1 d . . .
H7 H 0.4655 0.3216 0.1699 0.072 Uiso 1 1 calc R . .
C9 C 0.3668(10) 0.3997(10) 0.3053(5) 0.046(3) Uani 1 1 d . . .
O1W O 0.6699(17) 0.6983(16) -0.0888(9) 0.148(7) Uani 1 1 d . . .
H1W1 H 0.7003 0.7252 -0.0572 0.222 Uiso 1 1 d R . .
H1W2 H 0.7152 0.6918 -0.1111 0.222 Uiso 1 1 d R . .
C8 C 0.1957(11) 0.4829(10) 0.1171(5) 0.135(7) Uani 1 1 d DU . .
O3 O 0.1312(13) 0.4858(8) 0.1553(5) 0.175(8) Uani 1 1 d DU . .
O4 O 0.2037(12) 0.5217(15) 0.0668(5) 0.113(5) Uani 1 1 d DU . .


_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 O4 2.512(11) 4_665 ?
Sr1 O4 2.512(11) 8_665 ?
Sr1 O2 2.523(13) . ?
Sr1 O2 2.523(13) 11_655 ?
Sr1 O5 2.651(12) 6_554 ?
Sr1 O5 2.651(12) 12_655 ?
Sr1 O1 2.884(14) . ?
Sr1 O1 2.884(14) 11_655 ?
Sr1 C1 3.027(17) . ?
Sr1 C1 3.027(17) 11_655 ?
Sr1 Sr2 4.3164(12) 8_665 ?
Sr1 Sr2 4.3164(12) . ?
Sr2 O1W 2.515(18) 4_665 ?
Sr2 O1W 2.515(18) . ?
Sr2 O1 2.534(10) 4_665 ?
Sr2 O1 2.534(10) . ?
Sr2 O4 2.611(14) 11 ?
Sr2 O4 2.611(14) 8_665 ?
Sr2 O3 2.645(15) 11 ?
Sr2 O3 2.645(15) 8_665 ?
Sr2 C8 2.921(15) 11 ?
Sr2 C8 2.921(15) 8_665 ?
Sr2 O3 3.047(11) 3_664 ?
Sr2 O3 3.047(11) 6_554 ?
Sr2 H1W1 2.9036 . ?
Sr2 H1W2 2.8730 . ?
O1 C1 1.218(18) . ?
O2 C1 1.21(2) . ?
O5 C9 1.222(15) . ?
O5 Sr1 2.651(12) 2 ?
N1 C9 1.281(16) . ?
N1 C6 1.427(15) . ?
N1 H1 0.8600 . ?
C1 C2 1.505(10) . ?
C2 C3 1.40(2) . ?
C2 C7 1.404(16) . ?
C3 C4 1.37(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.413(19) . ?
C4 C8 1.521(14) . ?
C5 C6 1.43(2) . ?
C5 H5 0.9300 . ?
C6 C7 1.36(2) . ?
C7 H7 0.9300 . ?
C9 C9 1.52(2) 10 ?
O1W H1W1 0.8350 . ?
O1W H1W2 0.8402 . ?
C8 O3 1.260(15) . ?
C8 O4 1.270(14) . ?
C8 Sr2 2.921(15) 8_565 ?
O3 Sr2 2.645(15) 8_565 ?
O3 Sr2 3.047(11) 2 ?
O4 Sr1 2.512(11) 4_665 ?
O4 Sr2 2.611(14) 8_565 ?

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
O4 Sr1 O4 87.9(9) 4_665 8_665 ?
O4 Sr1 O2 84.4(4) 4_665 . ?
O4 Sr1 O2 110.7(4) 8_665 . ?
O4 Sr1 O2 110.7(4) 4_665 11_655 ?
O4 Sr1 O2 84.4(4) 8_665 11_655 ?
O2 Sr1 O2 159.5(6) . 11_655 ?
O4 Sr1 O5 154.4(4) 4_665 6_554 ?
O4 Sr1 O5 106.0(5) 8_665 6_554 ?
O2 Sr1 O5 70.6(4) . 6_554 ?
O2 Sr1 O5 92.3(4) 11_655 6_554 ?
O4 Sr1 O5 106.0(5) 4_665 12_655 ?
O4 Sr1 O5 154.4(4) 8_665 12_655 ?
O2 Sr1 O5 92.3(4) . 12_655 ?
O2 Sr1 O5 70.6(4) 11_655 12_655 ?
O5 Sr1 O5 70.4(7) 6_554 12_655 ?
O4 Sr1 O1 96.0(4) 4_665 . ?
O4 Sr1 O1 66.7(3) 8_665 . ?
O2 Sr1 O1 46.2(4) . . ?
O2 Sr1 O1 139.9(4) 11_655 . ?
O5 Sr1 O1 71.1(4) 6_554 . ?
O5 Sr1 O1 130.9(4) 12_655 . ?
O4 Sr1 O1 66.7(3) 4_665 11_655 ?
O4 Sr1 O1 96.0(4) 8_665 11_655 ?
O2 Sr1 O1 139.9(4) . 11_655 ?
O2 Sr1 O1 46.2(4) 11_655 11_655 ?
O5 Sr1 O1 130.9(4) 6_554 11_655 ?
O5 Sr1 O1 71.1(4) 12_655 11_655 ?
O1 Sr1 O1 156.6(4) . 11_655 ?
O4 Sr1 C1 87.5(4) 4_665 . ?
O4 Sr1 C1 88.3(5) 8_665 . ?
O2 Sr1 C1 22.9(4) . . ?
O2 Sr1 C1 160.0(4) 11_655 . ?
O5 Sr1 C1 71.8(4) 6_554 . ?
O5 Sr1 C1 113.3(4) 12_655 . ?
O1 Sr1 C1 23.6(4) . . ?
O1 Sr1 C1 153.6(3) 11_655 . ?
O4 Sr1 C1 88.3(5) 4_665 11_655 ?
O4 Sr1 C1 87.5(4) 8_665 11_655 ?
O2 Sr1 C1 160.0(4) . 11_655 ?
O2 Sr1 C1 22.9(4) 11_655 11_655 ?
O5 Sr1 C1 113.3(4) 6_554 11_655 ?
O5 Sr1 C1 71.8(4) 12_655 11_655 ?
O1 Sr1 C1 153.6(3) . 11_655 ?
O1 Sr1 C1 23.6(4) 11_655 11_655 ?
C1 Sr1 C1 174.1(6) . 11_655 ?
O4 Sr1 Sr2 33.3(3) 4_665 8_665 ?
O4 Sr1 Sr2 98.5(4) 8_665 8_665 ?
O2 Sr1 Sr2 109.6(3) . 8_665 ?
O2 Sr1 Sr2 80.5(3) 11_655 8_665 ?
O5 Sr1 Sr2 153.7(3) 6_554 8_665 ?
O5 Sr1 Sr2 83.4(3) 12_655 8_665 ?
O1 Sr1 Sr2 129.1(2) . 8_665 ?
O1 Sr1 Sr2 34.46(17) 11_655 8_665 ?
C1 Sr1 Sr2 119.1(3) . 8_665 ?
C1 Sr1 Sr2 57.6(4) 11_655 8_665 ?
O4 Sr1 Sr2 98.5(4) 4_665 . ?
O4 Sr1 Sr2 33.3(3) 8_665 . ?
O2 Sr1 Sr2 80.5(3) . . ?
O2 Sr1 Sr2 109.6(3) 11_655 . ?
O5 Sr1 Sr2 83.4(3) 6_554 . ?
O5 Sr1 Sr2 153.7(3) 12_655 . ?
O1 Sr1 Sr2 34.46(17) . . ?
O1 Sr1 Sr2 129.1(2) 11_655 . ?
C1 Sr1 Sr2 57.6(4) . . ?
C1 Sr1 Sr2 119.1(3) 11_655 . ?
Sr2 Sr1 Sr2 122.95(5) 8_665 . ?
O1W Sr2 O1W 165.5(10) 4_665 . ?
O1W Sr2 O1 123.5(6) 4_665 4_665 ?
O1W Sr2 O1 69.2(5) . 4_665 ?
O1W Sr2 O1 69.2(5) 4_665 . ?
O1W Sr2 O1 123.5(6) . . ?
O1 Sr2 O1 76.8(6) 4_665 . ?
O1W Sr2 O4 73.9(5) 4_665 11 ?
O1W Sr2 O4 107.2(6) . 11 ?
O1 Sr2 O4 70.8(4) 4_665 11 ?
O1 Sr2 O4 102.1(5) . 11 ?
O1W Sr2 O4 107.2(6) 4_665 8_665 ?
O1W Sr2 O4 73.9(5) . 8_665 ?
O1 Sr2 O4 102.1(5) 4_665 8_665 ?
O1 Sr2 O4 70.8(4) . 8_665 ?
O4 Sr2 O4 171.4(5) 11 8_665 ?
O1W Sr2 O3 65.7(5) 4_665 11 ?
O1W Sr2 O3 103.5(5) . 11 ?
O1 Sr2 O3 116.2(4) 4_665 11 ?
O1 Sr2 O3 132.1(3) . 11 ?
O4 Sr2 O3 50.4(3) 11 11 ?
O4 Sr2 O3 138.1(4) 8_665 11 ?
O1W Sr2 O3 103.5(5) 4_665 8_665 ?
O1W Sr2 O3 65.7(5) . 8_665 ?
O1 Sr2 O3 132.1(3) 4_665 8_665 ?
O1 Sr2 O3 116.2(4) . 8_665 ?
O4 Sr2 O3 138.1(4) 11 8_665 ?
O4 Sr2 O3 50.4(3) 8_665 8_665 ?
O3 Sr2 O3 89.7(5) 11 8_665 ?
O1W Sr2 C8 62.6(5) 4_665 11 ?
O1W Sr2 C8 112.0(5) . 11 ?
O1 Sr2 C8 95.8(4) 4_665 11 ?
O1 Sr2 C8 115.2(4) . 11 ?
O4 Sr2 C8 25.8(3) 11 11 ?
O4 Sr2 C8 162.0(4) 8_665 11 ?
O3 Sr2 C8 25.6(3) 11 11 ?
O3 Sr2 C8 115.2(4) 8_665 11 ?
O1W Sr2 C8 112.0(5) 4_665 8_665 ?
O1W Sr2 C8 62.6(5) . 8_665 ?
O1 Sr2 C8 115.2(4) 4_665 8_665 ?
O1 Sr2 C8 95.8(4) . 8_665 ?
O4 Sr2 C8 162.0(4) 11 8_665 ?
O4 Sr2 C8 25.8(3) 8_665 8_665 ?
O3 Sr2 C8 115.2(4) 11 8_665 ?
O3 Sr2 C8 25.6(3) 8_665 8_665 ?
C8 Sr2 C8 140.7(5) 11 8_665 ?
O1W Sr2 O3 108.2(5) 4_665 3_664 ?
O1W Sr2 O3 59.2(5) . 3_664 ?
O1 Sr2 O3 103.9(4) 4_665 3_664 ?
O1 Sr2 O3 177.0(3) . 3_664 ?
O4 Sr2 O3 75.5(4) 11 3_664 ?
O4 Sr2 O3 111.7(3) 8_665 3_664 ?
O3 Sr2 O3 45.0(2) 11 3_664 ?
O3 Sr2 O3 65.5(5) 8_665 3_664 ?
C8 Sr2 O3 61.9(3) 11 3_664 ?
C8 Sr2 O3 86.5(4) 8_665 3_664 ?
O1W Sr2 O3 59.2(5) 4_665 6_554 ?
O1W Sr2 O3 108.2(5) . 6_554 ?
O1 Sr2 O3 177.0(3) 4_665 6_554 ?
O1 Sr2 O3 103.9(4) . 6_554 ?
O4 Sr2 O3 111.7(3) 11 6_554 ?
O4 Sr2 O3 75.5(4) 8_665 6_554 ?
O3 Sr2 O3 65.5(5) 11 6_554 ?
O3 Sr2 O3 45.0(2) 8_665 6_554 ?
C8 Sr2 O3 86.5(4) 11 6_554 ?
C8 Sr2 O3 61.9(3) 8_665 6_554 ?
O3 Sr2 O3 75.5(6) 3_664 6_554 ?
O1W Sr2 H1W1 177.9 4_665 . ?
O1W Sr2 H1W1 15.7 . . ?
O1 Sr2 H1W1 56.4 4_665 . ?
O1 Sr2 H1W1 109.0 . . ?
O4 Sr2 H1W1 107.7 11 . ?
O4 Sr2 H1W1 70.9 8_665 . ?
O3 Sr2 H1W1 116.4 11 . ?
O3 Sr2 H1W1 76.2 8_665 . ?
C8 Sr2 H1W1 119.4 11 . ?
C8 Sr2 H1W1 66.8 8_665 . ?
O3 Sr2 H1W1 73.7 3_664 . ?
O3 Sr2 H1W1 120.7 6_554 . ?
O1W Sr2 H1W2 152.4 4_665 . ?
O1W Sr2 H1W2 16.3 . . ?
O1 Sr2 H1W2 84.1 4_665 . ?
O1 Sr2 H1W2 124.2 . . ?
O4 Sr2 H1W2 120.0 11 . ?
O4 Sr2 H1W2 62.8 8_665 . ?
O3 Sr2 H1W2 103.5 11 . ?
O3 Sr2 H1W2 49.6 8_665 . ?
C8 Sr2 H1W2 118.6 11 . ?
C8 Sr2 H1W2 47.5 8_665 . ?
O3 Sr2 H1W2 58.8 3_664 . ?
O3 Sr2 H1W2 93.2 6_554 . ?
H1W1 Sr2 H1W2 27.8 . . ?
C1 O1 Sr2 162.8(12) . . ?
C1 O1 Sr1 84.8(11) . . ?
Sr2 O1 Sr1 105.4(4) . . ?
C1 O2 Sr1 102.7(9) . . ?
C9 O5 Sr1 152.7(12) . 2 ?
C9 N1 C6 131.5(13) . . ?
C9 N1 H1 114.3 . . ?
C6 N1 H1 114.3 . . ?
O2 C1 O1 124.7(16) . . ?
O2 C1 C2 115.9(15) . . ?
O1 C1 C2 119.3(17) . . ?
O2 C1 Sr1 54.4(8) . . ?
O1 C1 Sr1 71.6(10) . . ?
C2 C1 Sr1 160.9(10) . . ?
C3 C2 C7 117.9(14) . . ?
C3 C2 C1 123.5(14) . . ?
C7 C2 C1 118.5(14) . . ?
C4 C3 C2 121.6(13) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C3 C4 C5 121.5(16) . . ?
C3 C4 C8 125.3(13) . . ?
C5 C4 C8 113.1(16) . . ?
C4 C5 C6 116.2(16) . . ?
C4 C5 H5 121.9 . . ?
C6 C5 H5 121.9 . . ?
C7 C6 N1 118.1(14) . . ?
C7 C6 C5 121.7(11) . . ?
N1 C6 C5 120.2(14) . . ?
C6 C7 C2 121.1(14) . . ?
C6 C7 H7 119.4 . . ?
C2 C7 H7 119.4 . . ?
O5 C9 N1 121.9(12) . . ?
O5 C9 C9 119.7(14) . 10 ?
N1 C9 C9 118.5(13) . 10 ?
Sr2 O1W H1W1 109.6 . . ?
Sr2 O1W H1W2 106.8 . . ?
H1W1 O1W H1W2 111.9 . . ?
O3 C8 O4 124.4(17) . . ?
O3 C8 C4 121.5(13) . . ?
O4 C8 C4 114.1(14) . . ?
O3 C8 Sr2 64.9(9) . 8_565 ?
O4 C8 Sr2 63.4(9) . 8_565 ?
C4 C8 Sr2 158.8(7) . 8_565 ?
C8 O3 Sr2 89.5(9) . 8_565 ?
C8 O3 Sr2 172.8(11) . 2 ?
Sr2 O3 Sr2 97.4(4) 8_565 2 ?
C8 O4 Sr1 142.8(9) . 4_665 ?
C8 O4 Sr2 90.9(9) . 8_565 ?
Sr1 O4 Sr2 114.8(5) 4_665 8_565 ?

_diffrn_measured_fraction_theta_max 0.982
_diffrn_reflns_theta_full        25.10
_diffrn_measured_fraction_theta_full 0.982
_refine_diff_density_max         1.353
_refine_diff_density_min         -1.116
_refine_diff_density_rms         0.145
