# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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. 
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data_asr07b
_database_code_depnum_ccdc_archive 'CCDC 1899993'
loop_
_audit_author_name
_audit_author_address
'Antonio Rodriguez Dieguez'
;University of Granada
Spain
;
_audit_update_record             
;
2019-06-21 deposited with the CCDC.	2019-07-01 downloaded from the CCDC.
;
_audit_creation_date             2019-06-06
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C11 H12 N2 O5 Sr'
_chemical_formula_sum            'C11 H12 N2 O5 Sr'
_chemical_formula_weight         339.85
_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 0.0033 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'

_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           14
_space_group_name_H-M_alt        P2(1)/n
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.9671(8)
_cell_length_b                   7.3143(6)
_cell_length_c                   18.1950(16)
_cell_angle_alpha                90
_cell_angle_beta                 90.611(3)
_cell_angle_gamma                90
_cell_volume                     1326.38(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9805
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.34
_shelx_estimated_absorpt_T_max   0.736
_shelx_estimated_absorpt_T_min   0.640
_exptl_absorpt_coefficient_mu    4.082
_exptl_absorpt_correction_T_max  0.094903
_exptl_absorpt_correction_T_min  0.062100
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.

Final HKLF 4 output contains 42184 reflections, Rint = 0.0831
 (24230 with I > 3sig(I), Rint = 0.0603)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0273
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3106
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.825
_diffrn_reflns_theta_min         3.002
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'high brilliance microfocus sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2949
_reflns_number_total             3106
_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2016)'
_computing_data_collection       'Bruker Apex3, 2016'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_refine_diff_density_max         0.583
_refine_diff_density_min         -0.893
_refine_diff_density_rms         0.115
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.273
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         3106
_refine_ls_number_restraints     68
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0410
_refine_ls_restrained_S_all      1.263
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+5.2221P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.0951
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.592(3)
 0.408(3)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(O5A) \\sim Ueq, Uanis(O5B) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(O5A) = Uanis(O5B)
4. Rigid body (RIGU) restrains
 Sr1, N3A, O5A, C9A, C10A, C11A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 Sr1, N3B, O5B, C9B, C10B, C11B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: N1(0.5) H1A(0.5) H1B(0.5) N2(0.5) H2A(0.5) H2B(0.5) N3A(0.5)
 N3B(0.5) H3(0.5) O5A(0.5) O5B(0.5) H8(0.5) C9A(0.5) H9A(0.5) C9B(0.5) H9B(0.5)
 C10A(0.5) H10A(0.5) H10B(0.5) H10C(0.5) C10B(0.5) H10D(0.5) H10E(0.5)
 H10F(0.5) C11A(0.5) H11A(0.5) H11B(0.5) H11C(0.5) C11B(0.5) H11D(0.5)
 H11E(0.5) H11F(0.5)
6.a Rotating group:
 N1(H1A,H1B), N2(H2A,H2B)
6.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C7(H7), C8(H8), C9A(H9A), C9B(H9B)
6.c Idealised Me refined as rotating group:
 C10A(H10A,H10B,H10C), C10B(H10D,H10E,H10F), C11A(H11A,H11B,H11C), C11B(H11D,
 H11E,H11F)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.30515(4) 0.56575(5) 0.24929(4) 0.01674(11) Uani 1 1 d . U . . .
O1 O 0.3343(5) 0.8729(6) 0.1715(2) 0.0265(11) Uani 1 1 d . . . . .
N1 N 0.5688(14) 0.6323(14) 0.0077(6) 0.046(3) Uani 0.5 1 d . . P A 1
H1A H 0.528062 0.578677 0.043189 0.055 Uiso 0.5 1 d GR . P A 1
H1B H 0.542740 0.584906 -0.033379 0.055 Uiso 0.5 1 d GR . P A 1
C1 C 0.4073(7) 0.7941(7) 0.1253(4) 0.0203(13) Uani 1 1 d . . . . .
O2 O 0.4461(5) 0.6313(6) 0.1349(3) 0.0282(10) Uani 1 1 d . . . . .
N2 N 0.1565(14) 0.8075(19) -0.0413(8) 0.070(5) Uani 0.5 1 d . . P B 1
H2A H 0.107923 0.888000 -0.066370 0.085 Uiso 0.5 1 d GR . P B 1
H2B H 0.190605 0.859701 -0.001336 0.085 Uiso 0.5 1 d GR . P B 1
C2 C 0.4562(7) 0.8988(9) 0.0597(4) 0.0251(14) Uani 1 1 d . . . . .
O3 O 0.1918(5) 0.3495(5) 0.1618(2) 0.0228(8) Uani 1 1 d . . . . .
N3A N 0.628(3) 0.149(4) 0.2952(14) 0.051(7) Uani 0.5 1 d . U P C 1
N3B N 0.6352(18) 0.154(3) 0.3109(11) 0.029(4) Uani 0.5 1 d . U P D 2
C3 C 0.5365(6) 0.8154(8) 0.0065(3) 0.0246(14) Uani 1 1 d . . . . .
H3 H 0.563606 0.691474 0.011468 0.030 Uiso 0.5 1 calc R . P A 2
O4 O 0.0165(5) 0.1641(7) 0.1528(3) 0.0412(13) Uani 1 1 d . . . . .
C4 C 0.5754(7) 0.9186(8) -0.0536(4) 0.0312(17) Uani 1 1 d . . . . .
H4 H 0.625126 0.861856 -0.091609 0.037 Uiso 1 1 calc R . . . .
O5A O 0.4302(10) 0.2549(13) 0.2557(7) 0.0214(10) Uani 0.5 1 d . U P C 1
O5B O 0.4255(12) 0.2489(16) 0.2716(5) 0.0214(10) Uani 0.5 1 d . U P D 2
C5 C 0.0828(8) 0.2963(10) 0.1300(4) 0.0286(15) Uani 1 1 d . . . . .
C6 C 0.0384(8) 0.3982(9) 0.0631(4) 0.0241(15) Uani 1 1 d . . . . .
C7 C 0.1130(7) 0.5515(9) 0.0403(4) 0.0324(17) Uani 1 1 d . . . . .
H7 H 0.190804 0.586123 0.067487 0.039 Uiso 1 1 calc R . . . .
C8 C 0.0747(8) 0.6548(10) -0.0223(4) 0.0372(17) Uani 1 1 d . . . . .
H8 H 0.125263 0.758996 -0.036353 0.045 Uiso 0.5 1 calc R . P B 2
C9A C 0.5287(10) 0.1462(15) 0.2659(6) 0.027(2) Uani 0.5 1 d . U P C 1
H9A H 0.513699 0.032045 0.242323 0.033 Uiso 0.5 1 calc R . P C 1
C9B C 0.5194(11) 0.241(2) 0.3057(8) 0.039(3) Uani 0.5 1 d . U P D 2
H9B H 0.513606 0.326248 0.344814 0.047 Uiso 0.5 1 calc R . P D 2
C10A C 0.6423(15) 0.289(2) 0.3692(9) 0.050(3) Uani 0.5 1 d . U P C 1
H10A H 0.560164 0.361083 0.373862 0.074 Uiso 0.5 1 calc GR . P C 1
H10B H 0.719073 0.370551 0.362756 0.074 Uiso 0.5 1 calc GR . P C 1
H10C H 0.655874 0.214963 0.413628 0.074 Uiso 0.5 1 calc GR . P C 1
C10B C 0.6502(16) 0.054(3) 0.2303(11) 0.076(6) Uani 0.5 1 d . U P D 2
H10D H 0.597817 0.121020 0.193370 0.113 Uiso 0.5 1 calc GR . P D 2
H10E H 0.616993 -0.072104 0.233463 0.113 Uiso 0.5 1 calc GR . P D 2
H10F H 0.744886 0.052451 0.216284 0.113 Uiso 0.5 1 calc GR . P D 2
C11A C 0.7396(15) 0.016(2) 0.3044(11) 0.058(4) Uani 0.5 1 d . U P C 1
H11A H 0.749806 -0.015895 0.356528 0.087 Uiso 0.5 1 calc GR . P C 1
H11B H 0.823107 0.070157 0.286762 0.087 Uiso 0.5 1 calc GR . P C 1
H11C H 0.719480 -0.095076 0.276058 0.087 Uiso 0.5 1 calc GR . P C 1
C11B C 0.7325(18) 0.128(3) 0.3565(13) 0.090(7) Uani 0.5 1 d . U P D 2
H11D H 0.714091 0.191472 0.402590 0.134 Uiso 0.5 1 calc GR . P D 2
H11E H 0.815893 0.174439 0.335512 0.134 Uiso 0.5 1 calc GR . P D 2
H11F H 0.741818 -0.003741 0.366049 0.134 Uiso 0.5 1 calc GR . P D 2


_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 O1 2.458(4) 2_545 ?
Sr1 O1 2.672(4) . ?
Sr1 O2 2.569(4) . ?
Sr1 O3 2.631(4) 2 ?
Sr1 O3 2.504(4) . ?
Sr1 O4 2.604(5) 2 ?
Sr1 O5A 2.724(10) 2 ?
Sr1 O5A 2.595(10) . ?
Sr1 O5B 2.684(12) 2 ?
Sr1 O5B 2.639(11) . ?
Sr1 C5 2.978(7) 2 ?
Sr1 C9A 3.388(10) 2 ?
O1 C1 1.258(7) . ?
N1 H1A 0.8615 . ?
N1 H1B 0.8609 . ?
N1 C3 1.378(11) . ?
C1 O2 1.263(7) . ?
C1 C2 1.504(8) . ?
N2 H2A 0.8856 . ?
N2 H2B 0.8865 . ?
N2 C8 1.427(12) . ?
C2 C3 1.402(8) . ?
C2 C4 1.376(9) 3_675 ?
O3 C5 1.287(9) . ?
N3A C9A 1.12(2) . ?
N3A C10A 1.70(3) . ?
N3A C11A 1.48(3) . ?
N3B C9B 1.32(2) . ?
N3B C10B 1.65(3) . ?
N3B C11B 1.28(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.388(8) . ?
O4 C5 1.245(8) . ?
C4 H4 0.9500 . ?
O5A C9A 1.275(14) . ?
O5B C9B 1.119(17) . ?
C5 C6 1.490(9) . ?
C6 C7 1.410(9) . ?
C6 C8 1.399(10) 3_565 ?
C7 H7 0.9500 . ?
C7 C8 1.415(9) . ?
C8 H8 0.9500 . ?
C9A H9A 0.9500 . ?
C9B H9B 0.9500 . ?
C10A H10A 0.9800 . ?
C10A H10B 0.9800 . ?
C10A H10C 0.9800 . ?
C10B H10D 0.9800 . ?
C10B H10E 0.9800 . ?
C10B H10F 0.9800 . ?
C11A H11A 0.9800 . ?
C11A H11B 0.9800 . ?
C11A H11C 0.9800 . ?
C11B H11D 0.9800 . ?
C11B H11E 0.9800 . ?
C11B H11F 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
O1 Sr1 O1 149.12(10) 2_545 . ?
O1 Sr1 O2 154.11(14) 2_545 . ?
O1 Sr1 O3 95.48(14) 2_545 2 ?
O1 Sr1 O3 75.86(12) 2_545 . ?
O1 Sr1 O4 98.27(17) 2_545 2 ?
O1 Sr1 O5A 79.6(3) 2_545 2 ?
O1 Sr1 O5A 75.2(2) 2_545 . ?
O1 Sr1 O5A 69.8(2) . 2 ?
O1 Sr1 O5B 66.6(3) . 2 ?
O1 Sr1 O5B 70.4(2) 2_545 . ?
O1 Sr1 O5B 83.1(3) 2_545 2 ?
O1 Sr1 C5 95.90(18) 2_545 2 ?
O1 Sr1 C5 82.67(17) . 2 ?
O1 Sr1 C9A 65.6(2) 2_545 2 ?
O1 Sr1 C9A 85.6(2) . 2 ?
O2 Sr1 O1 49.50(13) . . ?
O2 Sr1 O3 110.38(13) . 2 ?
O2 Sr1 O4 97.34(17) . 2 ?
O2 Sr1 O5A 86.2(3) . . ?
O2 Sr1 O5A 110.9(3) . 2 ?
O2 Sr1 O5B 92.1(2) . . ?
O2 Sr1 O5B 105.5(2) . 2 ?
O2 Sr1 C5 106.75(18) . 2 ?
O2 Sr1 C9A 116.5(2) . 2 ?
O3 Sr1 O1 70.22(11) 2 . ?
O3 Sr1 O1 104.20(13) . . ?
O3 Sr1 O2 81.35(14) . . ?
O3 Sr1 O3 152.98(7) . 2 ?
O3 Sr1 O4 155.37(15) . 2 ?
O3 Sr1 O5A 67.9(3) 2 2 ?
O3 Sr1 O5A 71.8(3) . . ?
O3 Sr1 O5A 85.2(3) . 2 ?
O3 Sr1 O5B 81.1(3) . 2 ?
O3 Sr1 O5B 72.4(3) 2 2 ?
O3 Sr1 O5B 126.6(3) 2 . ?
O3 Sr1 O5B 75.2(3) . . ?
O3 Sr1 C5 171.76(18) . 2 ?
O3 Sr1 C5 25.58(17) 2 2 ?
O3 Sr1 C9A 85.3(2) 2 2 ?
O3 Sr1 C9A 67.8(2) . 2 ?
O4 Sr1 O1 93.02(16) 2 . ?
O4 Sr1 O3 50.09(15) 2 2 ?
O4 Sr1 O5A 117.6(3) 2 2 ?
O4 Sr1 O5B 122.4(2) 2 2 ?
O4 Sr1 O5B 80.3(3) 2 . ?
O4 Sr1 C5 24.62(18) 2 2 ?
O4 Sr1 C9A 132.1(2) 2 2 ?
O5A Sr1 O1 134.9(2) . . ?
O5A Sr1 O3 131.4(3) . 2 ?
O5A Sr1 O4 83.5(3) . 2 ?
O5A Sr1 O5A 149.3(3) . 2 ?
O5A Sr1 O5B 148.6(3) . 2 ?
O5A Sr1 C5 106.7(3) . 2 ?
O5A Sr1 C5 93.0(3) 2 2 ?
O5A Sr1 C9A 128.8(3) . 2 ?
O5A Sr1 C9A 20.7(3) 2 2 ?
O5B Sr1 O1 140.2(2) . . ?
O5B Sr1 C9A 20.4(3) 2 2 ?
O5B Sr1 C9A 127.5(3) . 2 ?
C5 Sr1 C9A 108.8(2) 2 2 ?
Sr1 O1 Sr1 96.14(13) 2 . ?
C1 O1 Sr1 92.1(3) . . ?
C1 O1 Sr1 171.8(4) . 2 ?
H1A N1 H1B 109.1 . . ?
C3 N1 H1A 110.0 . . ?
C3 N1 H1B 108.0 . . ?
O1 C1 O2 121.2(6) . . ?
O1 C1 C2 119.5(5) . . ?
O2 C1 C2 119.2(5) . . ?
C1 O2 Sr1 96.8(4) . . ?
H2A N2 H2B 109.8 . . ?
C8 N2 H2A 109.6 . . ?
C8 N2 H2B 110.7 . . ?
C3 C2 C1 121.2(6) . . ?
C4 C2 C1 118.8(6) 3_675 . ?
C4 C2 C3 120.0(6) 3_675 . ?
Sr1 O3 Sr1 96.05(13) . 2_545 ?
C5 O3 Sr1 148.3(4) . . ?
C5 O3 Sr1 92.4(4) . 2_545 ?
C9A N3A C10A 117(2) . . ?
C9A N3A C11A 134(2) . . ?
C11A N3A C10A 104.5(16) . . ?
C9B N3B C10B 103.8(15) . . ?
C11B N3B C9B 141(2) . . ?
C11B N3B C10B 116(2) . . ?
N1 C3 C2 123.2(6) . . ?
N1 C3 C4 118.3(6) . . ?
C2 C3 H3 120.9 . . ?
C4 C3 C2 118.3(5) . . ?
C4 C3 H3 120.9 . . ?
C5 O4 Sr1 94.7(4) . 2_545 ?
C2 C4 C3 121.7(6) 3_675 . ?
C2 C4 H4 119.2 3_675 . ?
C3 C4 H4 119.2 . . ?
Sr1 O5A Sr1 91.7(3) . 2_545 ?
C9A O5A Sr1 157.1(9) . . ?
C9A O5A Sr1 110.5(7) . 2_545 ?
Sr1 O5B Sr1 91.7(4) . 2_545 ?
C9B O5B Sr1 120.6(11) . . ?
O3 C5 Sr1 62.0(3) . 2_545 ?
O3 C5 C6 117.3(6) . . ?
O4 C5 Sr1 60.7(4) . 2_545 ?
O4 C5 O3 122.2(6) . . ?
O4 C5 C6 120.5(7) . . ?
C6 C5 Sr1 172.5(5) . 2_545 ?
C7 C6 C5 119.1(6) . . ?
C8 C6 C5 121.7(6) 3_565 . ?
C8 C6 C7 119.3(6) 3_565 . ?
C6 C7 H7 119.2 . . ?
C6 C7 C8 121.5(7) . . ?
C8 C7 H7 119.2 . . ?
C6 C8 N2 123.2(7) 3_565 . ?
C6 C8 C7 119.2(6) 3_565 . ?
C6 C8 H8 120.4 3_565 . ?
C7 C8 N2 117.6(7) . . ?
C7 C8 H8 120.4 . . ?
Sr1 C9A H9A 70.1 2_545 . ?
N3A C9A Sr1 154.8(17) . 2_545 ?
N3A C9A O5A 137.3(17) . . ?
N3A C9A H9A 111.4 . . ?
O5A C9A Sr1 48.9(6) . 2_545 ?
O5A C9A H9A 111.3 . . ?
N3B C9B H9B 108.8 . . ?
O5B C9B N3B 142.4(18) . . ?
O5B C9B H9B 108.8 . . ?
N3A C10A H10A 109.5 . . ?
N3A C10A H10B 109.5 . . ?
N3A C10A H10C 109.5 . . ?
H10A C10A H10B 109.5 . . ?
H10A C10A H10C 109.5 . . ?
H10B C10A H10C 109.5 . . ?
N3B C10B H10D 109.5 . . ?
N3B C10B H10E 109.5 . . ?
N3B C10B H10F 109.5 . . ?
H10D C10B H10E 109.5 . . ?
H10D C10B H10F 109.5 . . ?
H10E C10B H10F 109.5 . . ?
N3A C11A H11A 109.5 . . ?
N3A C11A H11B 109.5 . . ?
N3A C11A H11C 109.5 . . ?
H11A C11A H11B 109.5 . . ?
H11A C11A H11C 109.5 . . ?
H11B C11A H11C 109.5 . . ?
N3B C11B H11D 109.5 . . ?
N3B C11B H11E 109.5 . . ?
N3B C11B H11F 109.5 . . ?
H11D C11B H11E 109.5 . . ?
H11D C11B H11F 109.5 . . ?
H11E C11B H11F 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.592(3)
2 0.408(3)

_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
