# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_20140422lt_0m
_database_code_depnum_ccdc_archive 'CCDC 1034384'
_audit_update_record             
;
2015-04-02 deposited with the CCDC.
2015-06-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        '[Sr(emeamp)(tmhd)]3'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H39 N O4 Sr'
_chemical_formula_weight         445.14

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.9083(2)
_cell_length_b                   15.5225(2)
_cell_length_c                   17.1464(2)
_cell_angle_alpha                78.9340(10)
_cell_angle_beta                 85.2550(10)
_cell_angle_gamma                63.5860(10)
_cell_volume                     3487.59(8)
_cell_formula_units_Z            6
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    9931
_cell_measurement_theta_min      2.42
_cell_measurement_theta_max      23.63

_exptl_crystal_description       block
_exptl_crystal_colour            silver
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_F_000             1416
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_exptl_absorpt_coefficient_mu    2.340
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6518
_exptl_absorpt_correction_T_max  0.8349
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17151
_diffrn_reflns_av_unetI/netI     0.0826
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.210
_diffrn_reflns_theta_max         28.229
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             17151
_reflns_number_gt                11223
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0294P)²+2.1069P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17151
_refine_ls_number_parameters     819
_refine_ls_number_restraints     106
_refine_ls_R_factor_all          0.0948
_refine_ls_R_factor_gt           0.0462
_refine_ls_wR_factor_ref         0.0918
_refine_ls_wR_factor_gt          0.0770
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.001
_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_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 0.45317(2) 0.80636(2) 0.27706(2) 0.01791(7) Uani 1 1 d . . . . .
Sr2 Sr 0.26580(2) 0.71324(2) 0.20322(2) 0.01886(7) Uani 1 1 d . . . . .
Sr3 Sr 0.18613(2) 0.95093(2) 0.24324(2) 0.02171(8) Uani 1 1 d . . . . .
O1 O 0.58933(14) 0.79090(14) 0.18131(11) 0.0223(5) Uani 1 1 d . . . . .
O2 O 0.58971(14) 0.63667(14) 0.29735(12) 0.0246(5) Uani 1 1 d . . . . .
C1 C 0.6769(2) 0.7286(2) 0.16829(16) 0.0194(7) Uani 1 1 d . . . . .
C2 C 0.7206(2) 0.6319(2) 0.20759(17) 0.0227(7) Uani 1 1 d . . . . .
H2A H 0.7840 0.5912 0.1911 0.027 Uiso 1 1 calc R U . . .
C3 C 0.6767(2) 0.5908(2) 0.27010(17) 0.0214(7) Uani 1 1 d . . . . .
C4 C 0.7353(2) 0.7675(2) 0.10407(17) 0.0232(7) Uani 1 1 d . . . . .
C5 C 0.7247(2) 0.8649(2) 0.12136(18) 0.0291(8) Uani 1 1 d . . . . .
H5A H 0.7555 0.8541 0.1716 0.044 Uiso 1 1 calc R U . . .
H5B H 0.6550 0.9093 0.1231 0.044 Uiso 1 1 calc R U . . .
H5C H 0.7571 0.8922 0.0802 0.044 Uiso 1 1 calc R U . . .
C6 C 0.8464(2) 0.6984(2) 0.1001(2) 0.0335(8) Uani 1 1 d . . . . .
H6A H 0.8768 0.6844 0.1510 0.050 Uiso 1 1 calc R U . . .
H6B H 0.8784 0.7286 0.0610 0.050 Uiso 1 1 calc R U . . .
H6C H 0.8539 0.6388 0.0857 0.050 Uiso 1 1 calc R U . . .
C7 C 0.6852(2) 0.7861(2) 0.02346(17) 0.0297(8) Uani 1 1 d . . . . .
H7A H 0.7185 0.8122 -0.0178 0.044 Uiso 1 1 calc R U . . .
H7B H 0.6160 0.8319 0.0253 0.044 Uiso 1 1 calc R U . . .
H7C H 0.6900 0.7257 0.0127 0.044 Uiso 1 1 calc R U . . .
C8 C 0.7368(2) 0.4845(2) 0.31289(18) 0.0264(7) Uani 1 1 d . . . . .
C9 C 0.7809(2) 0.4912(2) 0.38761(19) 0.0384(9) Uani 1 1 d . . . . .
H9A H 0.7276 0.5262 0.4213 0.058 Uiso 1 1 calc R U . . .
H9B H 0.8219 0.5250 0.3729 0.058 Uiso 1 1 calc R U . . .
H9C H 0.8209 0.4266 0.4156 0.058 Uiso 1 1 calc R U . . .
C10 C 0.8215(3) 0.4217(2) 0.2624(2) 0.0414(9) Uani 1 1 d . . . . .
H10A H 0.8717 0.4454 0.2541 0.062 Uiso 1 1 calc R U . . .
H10B H 0.7952 0.4253 0.2120 0.062 Uiso 1 1 calc R U . . .
H10C H 0.8508 0.3552 0.2894 0.062 Uiso 1 1 calc R U . . .
C11 C 0.6661(2) 0.4368(2) 0.3374(2) 0.0395(9) Uani 1 1 d . . . . .
H11A H 0.7018 0.3740 0.3699 0.059 Uiso 1 1 calc R U . . .
H11B H 0.6411 0.4288 0.2908 0.059 Uiso 1 1 calc R U . . .
H11C H 0.6112 0.4774 0.3670 0.059 Uiso 1 1 calc R U . . .
O5 O 0.22267(14) 0.61454(14) 0.12549(11) 0.0232(5) Uani 1 1 d . . . . .
O6 O 0.20101(16) 0.60380(15) 0.29191(12) 0.0310(5) Uani 1 1 d . . . . .
C21 C 0.1835(2) 0.5556(2) 0.13841(18) 0.0215(7) Uani 1 1 d . . . . .
C22 C 0.1523(2) 0.5229(2) 0.21264(18) 0.0272(7) Uani 1 1 d . . . . .
H22A H 0.1237 0.4802 0.2145 0.033 Uiso 1 1 calc R U . . .
C23 C 0.1606(2) 0.5493(2) 0.28449(19) 0.0283(8) Uani 1 1 d . . . . .
C24 C 0.1736(2) 0.5169(2) 0.06401(17) 0.0219(7) Uani 1 1 d . . . . .
C25 C 0.2789(2) 0.4630(2) 0.03149(19) 0.0301(8) Uani 1 1 d . . . . .
H25A H 0.2743 0.4441 -0.0176 0.045 Uiso 1 1 calc R U . . .
H25B H 0.3169 0.4058 0.0693 0.045 Uiso 1 1 calc R U . . .
H25C H 0.3115 0.5052 0.0224 0.045 Uiso 1 1 calc R U . . .
C26 C 0.1236(2) 0.4483(2) 0.08074(19) 0.0335(8) Uani 1 1 d . . . . .
H26A H 0.0576 0.4817 0.1014 0.050 Uiso 1 1 calc R U . . .
H26B H 0.1626 0.3921 0.1190 0.050 Uiso 1 1 calc R U . . .
H26C H 0.1191 0.4278 0.0324 0.050 Uiso 1 1 calc R U . . .
C27 C 0.1122(2) 0.6048(2) 0.00169(18) 0.0304(8) Uani 1 1 d . . . . .
H27A H 0.1080 0.5828 -0.0459 0.046 Uiso 1 1 calc R U . . .
H27B H 0.1439 0.6477 -0.0099 0.046 Uiso 1 1 calc R U . . .
H27C H 0.0460 0.6391 0.0217 0.046 Uiso 1 1 calc R U . . .
C28 C 0.1218(3) 0.5073(3) 0.36172(19) 0.0343(8) Uani 1 1 d . . . . .
C29 C 0.2133(3) 0.4339(3) 0.4117(2) 0.0666(13) Uani 1 1 d . . . . .
H29A H 0.2523 0.4658 0.4219 0.100 Uiso 1 1 calc R U . . .
H29B H 0.2533 0.3816 0.3834 0.100 Uiso 1 1 calc R U . . .
H29C H 0.1918 0.4080 0.4611 0.100 Uiso 1 1 calc R U . . .
C30 C 0.0611(3) 0.4545(3) 0.3480(2) 0.0651(13) Uani 1 1 d . . . . .
H30A H 0.0382 0.4317 0.3981 0.098 Uiso 1 1 calc R U . . .
H30B H 0.1023 0.4000 0.3225 0.098 Uiso 1 1 calc R U . . .
H30C H 0.0045 0.4987 0.3148 0.098 Uiso 1 1 calc R U . . .
C31 C 0.0598(4) 0.5892(3) 0.4066(3) 0.0789(16) Uani 1 1 d . . . . .
H31A H 0.0004 0.6340 0.3767 0.118 Uiso 1 1 calc R U . . .
H31B H 0.0981 0.6228 0.4144 0.118 Uiso 1 1 calc R U . . .
H31C H 0.0414 0.5628 0.4573 0.118 Uiso 1 1 calc R U . . .
O9 O 0.16083(16) 1.03233(16) 0.35820(13) 0.0353(6) Uani 1 1 d . . . . .
O10 O 0.34029(14) 0.99343(14) 0.26810(11) 0.0237(5) Uani 1 1 d . . . . .
C41 C 0.1879(2) 1.0865(2) 0.38526(18) 0.0264(7) Uani 1 1 d . . . . .
C42 C 0.2679(2) 1.1078(2) 0.35416(18) 0.0283(8) Uani 1 1 d . . . . .
H42A H 0.2752 1.1560 0.3740 0.034 Uiso 1 1 calc R U . . .
C43 C 0.3373(2) 1.0647(2) 0.29699(18) 0.0240(7) Uani 1 1 d . . . . .
C48 C 0.4132(2) 1.1064(2) 0.26692(19) 0.0288(8) Uani 1 1 d . . . . .
C49 C 0.4866(3) 1.0484(3) 0.2086(2) 0.0471(10) Uani 1 1 d . . . . .
H49A H 0.5326 1.0759 0.1912 0.071 Uiso 1 1 calc R U . . .
H49B H 0.4506 1.0509 0.1636 0.071 Uiso 1 1 calc R U . . .
H49C H 0.5229 0.9818 0.2340 0.071 Uiso 1 1 calc R U . . .
C44 C 0.1265(2) 1.1336(2) 0.4553(2) 0.0345(8) Uani 1 1 d . . . . .
C45 C 0.0973(4) 1.0609(3) 0.5087(2) 0.0735(15) Uani 1 1 d . . . . .
H45A H 0.1559 1.0082 0.5348 0.110 Uiso 1 1 calc R U . . .
H45B H 0.0669 1.0358 0.4775 0.110 Uiso 1 1 calc R U . . .
H45C H 0.0505 1.0926 0.5478 0.110 Uiso 1 1 calc R U . . .
C46 C 0.0282(3) 1.2196(3) 0.4197(2) 0.0637(12) Uani 1 1 d . . . . .
H46A H -0.0117 1.2522 0.4614 0.096 Uiso 1 1 calc R U . . .
H46B H -0.0084 1.1952 0.3942 0.096 Uiso 1 1 calc R U . . .
H46C H 0.0439 1.2649 0.3814 0.096 Uiso 1 1 calc R U . . .
C47 C 0.1765(3) 1.1757(4) 0.4998(3) 0.0787(16) Uani 1 1 d . . . . .
H47A H 0.1340 1.2033 0.5424 0.118 Uiso 1 1 calc R U . . .
H47B H 0.1879 1.2256 0.4641 0.118 Uiso 1 1 calc R U . . .
H47C H 0.2393 1.1249 0.5211 0.118 Uiso 1 1 calc R U . . .
C50 C 0.3581(3) 1.2127(2) 0.2246(2) 0.0532(11) Uani 1 1 d . . . . .
H50A H 0.4053 1.2395 0.2101 0.080 Uiso 1 1 calc R U . . .
H50B H 0.3088 1.2503 0.2597 0.080 Uiso 1 1 calc R U . . .
H50C H 0.3257 1.2148 0.1777 0.080 Uiso 1 1 calc R U . . .
C51 C 0.4720(3) 1.1042(3) 0.3366(2) 0.0441(10) Uani 1 1 d . . . . .
H51A H 0.5063 1.0383 0.3642 0.066 Uiso 1 1 calc R U . . .
H51B H 0.4268 1.1443 0.3723 0.066 Uiso 1 1 calc R U . . .
H51C H 0.5201 1.1287 0.3171 0.066 Uiso 1 1 calc R U . . .
O11 O 0.11107(14) 0.85870(14) 0.19858(12) 0.0267(5) Uani 1 1 d D . . . .
O12A O 0.10697(19) 1.12971(16) 0.15879(16) 0.0505(7) Uani 0.541(6) 1 d D . P A
1
N3A N -0.0269(2) 1.0470(2) 0.2200(2) 0.0436(8) Uani 0.541(6) 1 d D . P A 1
C52 C 0.0108(8) 0.8721(8) 0.1940(8) 0.019(3) Uani 0.541(6) 1 d D . P A 1
C53 C -0.0591(4) 0.9621(4) 0.2326(4) 0.0263(17) Uani 0.541(6) 1 d D . P A 1
H53A H -0.0623 0.9403 0.2893 0.032 Uiso 0.541(6) 1 calc R U P A 1
H53B H -0.1261 0.9878 0.2112 0.032 Uiso 0.541(6) 1 calc R U P A 1
C54 C -0.0425(6) 1.0982(6) 0.1479(5) 0.039(2) Uani 0.541(6) 1 d D . P A 1
H54A H -0.1135 1.1294 0.1358 0.046 Uiso 0.541(6) 1 calc R U P A 1
H54B H -0.0078 1.0554 0.1098 0.046 Uiso 0.541(6) 1 calc R U P A 1
C55 C -0.0046(6) 1.1750(5) 0.1417(5) 0.030(2) Uani 0.541(6) 1 d D . P A 1
H55A H -0.0407 1.2184 0.1792 0.036 Uiso 0.541(6) 1 calc R U P A 1
H55B H -0.0180 1.2137 0.0887 0.036 Uiso 0.541(6) 1 calc R U P A 1
C56 C -0.0104(6) 0.7884(5) 0.2371(5) 0.0308(19) Uani 0.541(6) 1 d D U P A 1
H56A H 0.0265 0.7319 0.2126 0.046 Uiso 0.541(6) 1 calc R U P A 1
H56B H -0.0808 0.8066 0.2343 0.046 Uiso 0.541(6) 1 calc R U P A 1
H56C H 0.0095 0.7736 0.2917 0.046 Uiso 0.541(6) 1 calc R U P A 1
C57 C -0.0106(12) 0.8871(8) 0.1049(9) 0.034(3) Uani 0.541(6) 1 d D U P A 1
H57A H 0.0091 0.9353 0.0761 0.050 Uiso 0.541(6) 1 calc R U P A 1
H57B H -0.0809 0.9087 0.0971 0.050 Uiso 0.541(6) 1 calc R U P A 1
H57C H 0.0265 0.8265 0.0859 0.050 Uiso 0.541(6) 1 calc R U P A 1
C58 C -0.0699(7) 1.0973(7) 0.2906(7) 0.038(2) Uani 0.541(6) 1 d D U P A 1
H58A H -0.0408 1.1416 0.2925 0.046 Uiso 0.541(6) 1 calc R U P A 1
H58B H -0.0491 1.0482 0.3384 0.046 Uiso 0.541(6) 1 calc R U P A 1
C59 C -0.1855(8) 1.1556(8) 0.2921(9) 0.059(3) Uani 0.541(6) 1 d D U P A 1
H59A H -0.2079 1.2019 0.2437 0.089 Uiso 0.541(6) 1 calc R U P A 1
H59B H -0.2047 1.1895 0.3364 0.089 Uiso 0.541(6) 1 calc R U P A 1
H59C H -0.2155 1.1114 0.2971 0.089 Uiso 0.541(6) 1 calc R U P A 1
C60 C 0.1411(14) 1.1975(12) 0.1582(11) 0.053(5) Uani 0.541(6) 1 d D U P A 1
H60A H 0.1292 1.2385 0.1069 0.079 Uiso 0.541(6) 1 calc R U P A 1
H60B H 0.2116 1.1653 0.1694 0.079 Uiso 0.541(6) 1 calc R U P A 1
H60C H 0.1066 1.2367 0.1980 0.079 Uiso 0.541(6) 1 calc R U P A 1
O12 O 0.10697(19) 1.12971(16) 0.15879(16) 0.0505(7) Uani 0.459(6) 1 d D . P A 2
N3 N -0.0269(2) 1.0470(2) 0.2200(2) 0.0436(8) Uani 0.459(6) 1 d D . P A 2
C70 C 0.0129(10) 0.8905(10) 0.1751(9) 0.022(3) Uani 0.459(6) 1 d D . P A 2
C71 C -0.0484(5) 1.0015(5) 0.1576(4) 0.030(2) Uani 0.459(6) 1 d D . P A 2
H71A H -0.0313 1.0272 0.1054 0.036 Uiso 0.459(6) 1 calc R U P A 2
H71B H -0.1192 1.0178 0.1577 0.036 Uiso 0.459(6) 1 calc R U P A 2
C72 C -0.0496(7) 1.1534(7) 0.1636(5) 0.037(2) Uani 0.459(6) 1 d D . P A 2
H72A H -0.1106 1.1746 0.1338 0.044 Uiso 0.459(6) 1 calc R U P A 2
H72B H -0.0628 1.2003 0.1982 0.044 Uiso 0.459(6) 1 calc R U P A 2
C73 C 0.0304(7) 1.1583(8) 0.1053(6) 0.038(3) Uani 0.459(6) 1 d D . P A 2
H73A H 0.0469 1.1131 0.0684 0.045 Uiso 0.459(6) 1 calc R U P A 2
H73B H 0.0119 1.2238 0.0759 0.045 Uiso 0.459(6) 1 calc R U P A 2
C75 C -0.0320(7) 0.8413(7) 0.2428(6) 0.038(2) Uani 0.459(6) 1 d D U P A 2
H75A H -0.0004 0.7720 0.2439 0.057 Uiso 0.459(6) 1 calc R U P A 2
H75B H -0.1027 0.8663 0.2340 0.057 Uiso 0.459(6) 1 calc R U P A 2
H75C H -0.0211 0.8548 0.2925 0.057 Uiso 0.459(6) 1 calc R U P A 2
C74 C 0.0066(15) 0.8521(9) 0.1001(10) 0.033(3) Uani 0.459(6) 1 d D U P A 2
H74A H 0.0385 0.8766 0.0566 0.049 Uiso 0.459(6) 1 calc R U P A 2
H74B H -0.0624 0.8739 0.0871 0.049 Uiso 0.459(6) 1 calc R U P A 2
H74C H 0.0397 0.7820 0.1100 0.049 Uiso 0.459(6) 1 calc R U P A 2
C76 C -0.0748(9) 1.0612(10) 0.2894(8) 0.052(4) Uani 0.459(6) 1 d D U P A 2
H76A H -0.0532 1.1004 0.3138 0.062 Uiso 0.459(6) 1 calc R U P A 2
H76B H -0.0534 0.9983 0.3241 0.062 Uiso 0.459(6) 1 calc R U P A 2
C77 C -0.1887(10) 1.1104(10) 0.2863(11) 0.071(4) Uani 0.459(6) 1 d D U P A 2
H77A H -0.2116 1.1757 0.2570 0.106 Uiso 0.459(6) 1 calc R U P A 2
H77B H -0.2148 1.1125 0.3394 0.106 Uiso 0.459(6) 1 calc R U P A 2
H77C H -0.2116 1.0740 0.2606 0.106 Uiso 0.459(6) 1 calc R U P A 2
C78 C 0.1181(14) 1.2092(12) 0.1748(12) 0.034(4) Uani 0.459(6) 1 d D U P A 2
H78A H 0.1180 1.2513 0.1258 0.050 Uiso 0.459(6) 1 calc R U P A 2
H78B H 0.1802 1.1863 0.2023 0.050 Uiso 0.459(6) 1 calc R U P A 2
H78C H 0.0636 1.2448 0.2074 0.050 Uiso 0.459(6) 1 calc R U P A 2
O3 O 0.29957(13) 0.78362(13) 0.31921(11) 0.0182(4) Uani 1 1 d . . . . .
O4 O 0.57611(16) 0.83238(16) 0.36757(12) 0.0323(5) Uani 1 1 d . . . . .
N1 N 0.43490(17) 0.77117(17) 0.44283(14) 0.0220(6) Uani 1 1 d . . . . .
C12 C 0.2903(2) 0.7442(2) 0.39933(17) 0.0215(7) Uani 1 1 d . . . . .
C13 C 0.3299(2) 0.7867(2) 0.45472(17) 0.0241(7) Uani 1 1 d . . . . .
H13A H 0.2875 0.8564 0.4484 0.029 Uiso 1 1 calc R U . . .
H13B H 0.3228 0.7585 0.5091 0.029 Uiso 1 1 calc R U . . .
C14 C 0.4476(2) 0.8529(2) 0.46373(18) 0.0261(7) Uani 1 1 d . . . . .
H14A H 0.4322 0.8555 0.5195 0.031 Uiso 1 1 calc R U . . .
H14B H 0.4006 0.9137 0.4331 0.031 Uiso 1 1 calc R U . . .
C15 C 0.5523(2) 0.8431(2) 0.44818(17) 0.0291(8) Uani 1 1 d . . . . .
H15A H 0.5564 0.9007 0.4582 0.035 Uiso 1 1 calc R U . . .
H15B H 0.5994 0.7866 0.4831 0.035 Uiso 1 1 calc R U . . .
C16 C 0.1788(2) 0.7768(2) 0.42009(19) 0.0323(8) Uani 1 1 d . . . . .
H16A H 0.1454 0.8467 0.4146 0.048 Uiso 1 1 calc R U . . .
H16B H 0.1727 0.7481 0.4739 0.048 Uiso 1 1 calc R U . . .
H16C H 0.1487 0.7560 0.3847 0.048 Uiso 1 1 calc R U . . .
C17 C 0.3435(2) 0.6325(2) 0.41058(18) 0.0285(8) Uani 1 1 d . . . . .
H17A H 0.3063 0.6096 0.3839 0.043 Uiso 1 1 calc R U . . .
H17B H 0.3478 0.6057 0.4662 0.043 Uiso 1 1 calc R U . . .
H17C H 0.4097 0.6121 0.3887 0.043 Uiso 1 1 calc R U . . .
C18 C 0.5080(2) 0.6759(2) 0.48607(18) 0.0293(8) Uani 1 1 d . . . . .
H18A H 0.5744 0.6651 0.4664 0.035 Uiso 1 1 calc R U . . .
H18B H 0.4943 0.6250 0.4728 0.035 Uiso 1 1 calc R U . . .
C19 C 0.5099(3) 0.6640(2) 0.57659(19) 0.0377(9) Uani 1 1 d . . . . .
H19A H 0.5360 0.7052 0.5912 0.057 Uiso 1 1 calc R U . . .
H19B H 0.5518 0.5972 0.5986 0.057 Uiso 1 1 calc R U . . .
H19C H 0.4431 0.6823 0.5968 0.057 Uiso 1 1 calc R U . . .
C20 C 0.6793(3) 0.8078(3) 0.3504(2) 0.0477(10) Uani 1 1 d . . . . .
H20A H 0.6929 0.8615 0.3552 0.072 Uiso 1 1 calc R U . . .
H20B H 0.6938 0.7944 0.2972 0.072 Uiso 1 1 calc R U . . .
H20C H 0.7206 0.7511 0.3872 0.072 Uiso 1 1 calc R U . . .
O7 O 0.33156(14) 0.84549(13) 0.16542(11) 0.0189(4) Uani 1 1 d . . . . .
O8 O 0.43790(15) 0.56044(14) 0.20818(12) 0.0281(5) Uani 1 1 d . . . . .
N2 N 0.37926(18) 0.70702(17) 0.05596(14) 0.0215(6) Uani 1 1 d . . . . .
C32 C 0.3426(2) 0.8748(2) 0.08317(17) 0.0203(7) Uani 1 1 d . . . . .
C33 C 0.4129(2) 0.7848(2) 0.04701(17) 0.0223(7) Uani 1 1 d . . . . .
H33A H 0.4204 0.8058 -0.0092 0.027 Uiso 1 1 calc R U . . .
H33B H 0.4783 0.7575 0.0716 0.027 Uiso 1 1 calc R U . . .
C34 C 0.4633(2) 0.6097(2) 0.06674(19) 0.0291(8) Uani 1 1 d . . . . .
H34A H 0.5155 0.6103 0.0293 0.035 Uiso 1 1 calc R U . . .
H34B H 0.4411 0.5638 0.0545 0.035 Uiso 1 1 calc R U . . .
C35 C 0.5064(2) 0.5750(2) 0.14910(18) 0.0312(8) Uani 1 1 d . . . . .
H35A H 0.5665 0.5140 0.1501 0.037 Uiso 1 1 calc R U . . .
H35B H 0.5256 0.6225 0.1624 0.037 Uiso 1 1 calc R U . . .
C36 C 0.3915(2) 0.9448(2) 0.06981(17) 0.0258(7) Uani 1 1 d . . . . .
H36A H 0.3496 1.0023 0.0917 0.039 Uiso 1 1 calc R U . . .
H36B H 0.3998 0.9628 0.0139 0.039 Uiso 1 1 calc R U . . .
H36C H 0.4558 0.9132 0.0955 0.039 Uiso 1 1 calc R U . . .
C37 C 0.2396(2) 0.9292(2) 0.04265(17) 0.0271(7) Uani 1 1 d . . . . .
H37A H 0.2027 0.8911 0.0570 0.041 Uiso 1 1 calc R U . . .
H37B H 0.2480 0.9391 -0.0140 0.041 Uiso 1 1 calc R U . . .
H37C H 0.2035 0.9912 0.0595 0.041 Uiso 1 1 calc R U . . .
C38 C 0.3169(2) 0.7189(2) -0.01355(18) 0.0281(7) Uani 1 1 d . . . . .
H38A H 0.2889 0.6722 -0.0005 0.034 Uiso 1 1 calc R U . . .
H38B H 0.2612 0.7836 -0.0195 0.034 Uiso 1 1 calc R U . . .
C39 C 0.3683(3) 0.7064(3) -0.0926(2) 0.0499(10) Uani 1 1 d . . . . .
H39A H 0.3888 0.7574 -0.1100 0.075 Uiso 1 1 calc R U . . .
H39B H 0.3228 0.7096 -0.1308 0.075 Uiso 1 1 calc R U . . .
H39C H 0.4260 0.6441 -0.0875 0.075 Uiso 1 1 calc R U . . .
C40 C 0.4340(2) 0.4692(2) 0.2150(2) 0.0353(8) Uani 1 1 d . . . . .
H40A H 0.4182 0.4620 0.1642 0.053 Uiso 1 1 calc R U . . .
H40B H 0.3835 0.4670 0.2528 0.053 Uiso 1 1 calc R U . . .
H40C H 0.4979 0.4170 0.2328 0.053 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 O1 2.4577(19) . ?
Sr1 O2 2.4895(19) . ?
Sr1 O3 2.4977(18) . ?
Sr1 O7 2.5433(18) . ?
Sr1 O10 2.6099(19) . ?
Sr1 O4 2.702(2) . ?
Sr1 N1 2.803(2) . ?
Sr2 O11 2.3986(19) . ?
Sr2 O5 2.5178(19) . ?
Sr2 O6 2.521(2) . ?
Sr2 O8 2.5999(19) . ?
Sr2 O7 2.6019(18) . ?
Sr2 O3 2.6252(18) . ?
Sr2 N2 2.913(2) . ?
Sr3 O11 2.4240(19) . ?
Sr3 O9 2.456(2) . ?
Sr3 O7 2.5223(18) . ?
Sr3 O3 2.5417(18) . ?
Sr3 O12 2.649(2) . ?
Sr3 O12A 2.649(2) . ?
Sr3 O10 2.742(2) . ?
Sr3 N3 2.870(3) . ?
Sr3 N3A 2.870(3) . ?
O1 C1 1.265(3) . ?
O2 C3 1.270(3) . ?
C1 C2 1.395(4) . ?
C1 C4 1.546(4) . ?
C2 C3 1.406(4) . ?
C3 C8 1.547(4) . ?
C4 C6 1.525(4) . ?
C4 C5 1.533(4) . ?
C4 C7 1.542(4) . ?
C8 C9 1.528(4) . ?
C8 C11 1.529(4) . ?
C8 C10 1.530(4) . ?
O5 C21 1.266(3) . ?
O6 C23 1.265(3) . ?
C21 C22 1.399(4) . ?
C21 C24 1.553(4) . ?
C22 C23 1.402(4) . ?
C23 C28 1.547(4) . ?
C24 C26 1.526(4) . ?
C24 C27 1.527(4) . ?
C24 C25 1.530(4) . ?
C28 C31 1.508(5) . ?
C28 C30 1.521(4) . ?
C28 C29 1.526(5) . ?
O9 C41 1.253(3) . ?
O10 C43 1.278(3) . ?
C41 C42 1.411(4) . ?
C41 C44 1.540(4) . ?
C42 C43 1.395(4) . ?
C43 C48 1.548(4) . ?
C48 C49 1.514(4) . ?
C48 C51 1.526(4) . ?
C48 C50 1.535(4) . ?
C44 C45 1.508(5) . ?
C44 C47 1.511(5) . ?
C44 C46 1.549(5) . ?
O11 C70 1.388(14) . ?
O11 C52 1.421(11) . ?
O12A C60 1.356(13) . ?
O12A C55 1.520(8) . ?
N3A C54 1.310(7) . ?
N3A C58 1.509(10) . ?
N3A C53 1.565(6) . ?
C52 C56 1.514(11) . ?
C52 C57 1.539(13) . ?
C52 C53 1.556(13) . ?
C54 C55 1.514(9) . ?
C58 C59 1.550(11) . ?
O12 C73 1.381(9) . ?
O12 C78 1.395(13) . ?
N3 C76 1.341(12) . ?
N3 C71 1.515(7) . ?
N3 C72 1.649(9) . ?
C70 C71 1.530(14) . ?
C70 C75 1.537(13) . ?
C70 C74 1.543(15) . ?
C72 C73 1.511(11) . ?
C76 C77 1.522(14) . ?
O3 C12 1.415(3) . ?
O4 C15 1.421(3) . ?
O4 C20 1.430(4) . ?
N1 C14 1.474(4) . ?
N1 C13 1.477(4) . ?
N1 C18 1.484(4) . ?
C12 C17 1.532(4) . ?
C12 C13 1.537(4) . ?
C12 C16 1.539(4) . ?
C14 C15 1.506(4) . ?
C18 C19 1.528(4) . ?
O7 C32 1.416(3) . ?
O8 C40 1.426(3) . ?
O8 C35 1.438(3) . ?
N2 C34 1.460(4) . ?
N2 C33 1.479(3) . ?
N2 C38 1.505(4) . ?
C32 C36 1.532(4) . ?
C32 C37 1.534(4) . ?
C32 C33 1.535(4) . ?
C34 C35 1.499(4) . ?
C38 C39 1.503(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Sr1 O2 69.00(6) . . ?
O1 Sr1 O3 149.97(6) . . ?
O2 Sr1 O3 103.48(6) . . ?
O1 Sr1 O7 91.10(6) . . ?
O2 Sr1 O7 114.72(6) . . ?
O3 Sr1 O7 64.96(6) . . ?
O1 Sr1 O10 105.96(6) . . ?
O2 Sr1 O10 166.94(6) . . ?
O3 Sr1 O10 86.78(6) . . ?
O7 Sr1 O10 76.79(6) . . ?
O1 Sr1 O4 80.84(6) . . ?
O2 Sr1 O4 81.61(7) . . ?
O3 Sr1 O4 127.96(6) . . ?
O7 Sr1 O4 157.95(6) . . ?
O10 Sr1 O4 85.70(6) . . ?
O1 Sr1 N1 136.49(7) . . ?
O2 Sr1 N1 84.29(7) . . ?
O3 Sr1 N1 67.79(6) . . ?
O7 Sr1 N1 131.91(6) . . ?
O10 Sr1 N1 92.34(6) . . ?
O4 Sr1 N1 61.19(6) . . ?
O11 Sr2 O5 101.84(6) . . ?
O11 Sr2 O6 95.26(7) . . ?
O5 Sr2 O6 68.23(6) . . ?
O11 Sr2 O8 177.36(7) . . ?
O5 Sr2 O8 80.37(6) . . ?
O6 Sr2 O8 86.88(7) . . ?
O11 Sr2 O7 79.77(6) . . ?
O5 Sr2 O7 134.30(6) . . ?
O6 Sr2 O7 157.42(6) . . ?
O8 Sr2 O7 97.67(6) . . ?
O11 Sr2 O3 80.91(6) . . ?
O5 Sr2 O3 163.26(6) . . ?
O6 Sr2 O3 95.14(6) . . ?
O8 Sr2 O3 97.38(6) . . ?
O7 Sr2 O3 62.39(6) . . ?
O11 Sr2 N2 113.11(7) . . ?
O5 Sr2 N2 74.05(6) . . ?
O6 Sr2 N2 136.60(6) . . ?
O8 Sr2 N2 65.98(6) . . ?
O7 Sr2 N2 64.02(6) . . ?
O3 Sr2 N2 120.39(6) . . ?
O11 Sr3 O9 134.47(7) . . ?
O11 Sr3 O7 80.91(6) . . ?
O9 Sr3 O7 137.53(7) . . ?
O11 Sr3 O3 82.17(6) . . ?
O9 Sr3 O3 93.64(7) . . ?
O7 Sr3 O3 64.64(6) . . ?
O11 Sr3 O12 107.91(7) . . ?
O9 Sr3 O12 85.42(8) . . ?
O7 Sr3 O12 107.58(7) . . ?
O3 Sr3 O12 166.70(7) . . ?
O11 Sr3 O12A 107.91(7) . . ?
O9 Sr3 O12A 85.42(8) . . ?
O7 Sr3 O12A 107.58(7) . . ?
O3 Sr3 O12A 166.70(7) . . ?
O11 Sr3 O10 155.21(6) . . ?
O9 Sr3 O10 66.34(6) . . ?
O7 Sr3 O10 74.76(6) . . ?
O3 Sr3 O10 83.16(6) . . ?
O12 Sr3 O10 84.32(7) . . ?
O12A Sr3 O10 84.32(7) . . ?
O11 Sr3 N3 63.23(7) . . ?
O9 Sr3 N3 88.19(8) . . ?
O7 Sr3 N3 133.92(8) . . ?
O3 Sr3 N3 131.14(8) . . ?
O12 Sr3 N3 62.14(9) . . ?
O10 Sr3 N3 139.78(7) . . ?
O11 Sr3 N3A 63.23(7) . . ?
O9 Sr3 N3A 88.19(8) . . ?
O7 Sr3 N3A 133.92(8) . . ?
O3 Sr3 N3A 131.14(8) . . ?
O12A Sr3 N3A 62.14(9) . . ?
O10 Sr3 N3A 139.78(7) . . ?
C1 O1 Sr1 138.71(18) . . ?
C3 O2 Sr1 137.63(18) . . ?
O1 C1 C2 124.5(3) . . ?
O1 C1 C4 114.7(2) . . ?
C2 C1 C4 120.8(3) . . ?
C1 C2 C3 125.4(3) . . ?
O2 C3 C2 124.3(3) . . ?
O2 C3 C8 115.7(3) . . ?
C2 C3 C8 120.0(3) . . ?
C6 C4 C5 108.8(2) . . ?
C6 C4 C7 109.6(2) . . ?
C5 C4 C7 108.8(2) . . ?
C6 C4 C1 114.1(2) . . ?
C5 C4 C1 108.3(2) . . ?
C7 C4 C1 107.2(2) . . ?
C9 C8 C11 108.9(3) . . ?
C9 C8 C10 109.4(3) . . ?
C11 C8 C10 109.2(3) . . ?
C9 C8 C3 106.2(2) . . ?
C11 C8 C3 109.6(2) . . ?
C10 C8 C3 113.4(3) . . ?
C21 O5 Sr2 137.85(18) . . ?
C23 O6 Sr2 138.0(2) . . ?
O5 C21 C22 125.3(3) . . ?
O5 C21 C24 114.9(3) . . ?
C22 C21 C24 119.8(3) . . ?
C21 C22 C23 125.3(3) . . ?
O6 C23 C22 124.6(3) . . ?
O6 C23 C28 116.3(3) . . ?
C22 C23 C28 119.1(3) . . ?
C26 C24 C27 109.0(2) . . ?
C26 C24 C25 109.1(2) . . ?
C27 C24 C25 109.0(2) . . ?
C26 C24 C21 113.8(2) . . ?
C27 C24 C21 108.0(2) . . ?
C25 C24 C21 107.8(2) . . ?
C31 C28 C30 109.8(3) . . ?
C31 C28 C29 109.0(3) . . ?
C30 C28 C29 107.9(3) . . ?
C31 C28 C23 108.9(3) . . ?
C30 C28 C23 113.9(3) . . ?
C29 C28 C23 107.2(3) . . ?
C41 O9 Sr3 141.1(2) . . ?
C43 O10 Sr1 138.57(18) . . ?
C43 O10 Sr3 128.91(18) . . ?
Sr1 O10 Sr3 85.30(6) . . ?
O9 C41 C42 124.0(3) . . ?
O9 C41 C44 116.2(3) . . ?
C42 C41 C44 119.7(3) . . ?
C43 C42 C41 127.4(3) . . ?
O10 C43 C42 123.2(3) . . ?
O10 C43 C48 118.8(3) . . ?
C42 C43 C48 118.0(3) . . ?
C49 C48 C51 108.6(3) . . ?
C49 C48 C50 107.9(3) . . ?
C51 C48 C50 108.4(3) . . ?
C49 C48 C43 111.5(3) . . ?
C51 C48 C43 110.2(3) . . ?
C50 C48 C43 110.2(3) . . ?
C45 C44 C47 112.9(3) . . ?
C45 C44 C41 108.8(3) . . ?
C47 C44 C41 114.4(3) . . ?
C45 C44 C46 106.8(3) . . ?
C47 C44 C46 106.9(3) . . ?
C41 C44 C46 106.7(3) . . ?
C70 O11 Sr2 137.4(6) . . ?
C52 O11 Sr2 130.1(5) . . ?
C70 O11 Sr3 128.5(6) . . ?
C52 O11 Sr3 133.6(5) . . ?
Sr2 O11 Sr3 93.96(7) . . ?
C60 O12A C55 112.7(9) . . ?
C60 O12A Sr3 124.9(9) . . ?
C55 O12A Sr3 116.4(3) . . ?
C54 N3A C58 120.1(6) . . ?
C54 N3A C53 114.4(4) . . ?
C58 N3A C53 104.3(5) . . ?
C54 N3A Sr3 106.3(4) . . ?
C58 N3A Sr3 105.8(4) . . ?
C53 N3A Sr3 104.7(2) . . ?
O11 C52 C56 115.9(8) . . ?
O11 C52 C57 105.6(10) . . ?
C56 C52 C57 108.6(10) . . ?
O11 C52 C53 108.5(9) . . ?
C56 C52 C53 105.7(7) . . ?
C57 C52 C53 112.7(8) . . ?
C52 C53 N3A 115.2(5) . . ?
N3A C54 C55 109.7(6) . . ?
C54 C55 O12A 111.8(6) . . ?
N3A C58 C59 116.0(9) . . ?
C73 O12 C78 112.0(10) . . ?
C73 O12 Sr3 120.9(5) . . ?
C78 O12 Sr3 125.5(8) . . ?
C76 N3 C71 125.7(7) . . ?
C76 N3 C72 109.6(7) . . ?
C71 N3 C72 97.0(5) . . ?
C76 N3 Sr3 110.8(6) . . ?
C71 N3 Sr3 106.2(3) . . ?
C72 N3 Sr3 105.0(3) . . ?
O11 C70 C71 114.8(10) . . ?
O11 C70 C75 104.6(9) . . ?
C71 C70 C75 112.5(11) . . ?
O11 C70 C74 112.2(12) . . ?
C71 C70 C74 106.6(9) . . ?
C75 C70 C74 105.8(12) . . ?
N3 C71 C70 109.8(7) . . ?
C73 C72 N3 117.6(7) . . ?
O12 C73 C72 98.5(7) . . ?
N3 C76 C77 116.6(11) . . ?
C12 O3 Sr1 119.19(16) . . ?
C12 O3 Sr3 127.39(16) . . ?
Sr1 O3 Sr3 92.07(6) . . ?
C12 O3 Sr2 120.40(16) . . ?
Sr1 O3 Sr2 104.33(6) . . ?
Sr3 O3 Sr2 86.05(5) . . ?
C15 O4 C20 112.2(2) . . ?
C15 O4 Sr1 120.63(16) . . ?
C20 O4 Sr1 124.54(18) . . ?
C14 N1 C13 110.4(2) . . ?
C14 N1 C18 111.1(2) . . ?
C13 N1 C18 113.3(2) . . ?
C14 N1 Sr1 100.67(16) . . ?
C13 N1 Sr1 103.45(16) . . ?
C18 N1 Sr1 116.98(17) . . ?
O3 C12 C17 109.3(2) . . ?
O3 C12 C13 109.8(2) . . ?
C17 C12 C13 113.4(2) . . ?
O3 C12 C16 109.6(2) . . ?
C17 C12 C16 109.1(2) . . ?
C13 C12 C16 105.7(2) . . ?
N1 C13 C12 116.4(2) . . ?
N1 C14 C15 112.3(3) . . ?
O4 C15 C14 108.2(2) . . ?
N1 C18 C19 116.8(3) . . ?
C32 O7 Sr3 121.56(15) . . ?
C32 O7 Sr1 127.83(16) . . ?
Sr3 O7 Sr1 91.45(6) . . ?
C32 O7 Sr2 116.12(15) . . ?
Sr3 O7 Sr2 86.94(6) . . ?
Sr1 O7 Sr2 103.71(6) . . ?
C40 O8 C35 114.6(2) . . ?
C40 O8 Sr2 115.82(17) . . ?
C35 O8 Sr2 112.59(16) . . ?
C34 N2 C33 112.0(2) . . ?
C34 N2 C38 109.2(2) . . ?
C33 N2 C38 112.1(2) . . ?
C34 N2 Sr2 104.99(16) . . ?
C33 N2 Sr2 107.52(16) . . ?
C38 N2 Sr2 110.80(16) . . ?
O7 C32 C36 110.6(2) . . ?
O7 C32 C37 110.0(2) . . ?
C36 C32 C37 107.5(2) . . ?
O7 C32 C33 109.2(2) . . ?
C36 C32 C33 106.9(2) . . ?
C37 C32 C33 112.6(2) . . ?
N2 C33 C32 114.9(2) . . ?
N2 C34 C35 113.6(3) . . ?
O8 C35 C34 113.1(3) . . ?
C39 C38 N2 117.2(3) . . ?

_refine_diff_density_max         0.871
_refine_diff_density_min         -0.569
_refine_diff_density_rms         0.102


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane'
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Hygroscopic, Oxygen-sensitive'
####################################################################### 
# 
# 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_20140420LT_0m
_database_code_depnum_ccdc_archive 'CCDC 1034385'
_audit_update_record             
;
2015-04-02 deposited with the CCDC.
2015-06-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        '[Sr(imeamp)(tmhd)]3'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C63 H123 N3 O12 Sr3'
_chemical_formula_weight         1377.50

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.1918(2)
_cell_length_b                   14.5190(2)
_cell_length_c                   21.0895(3)
_cell_angle_alpha                77.3070(10)
_cell_angle_beta                 71.7630(10)
_cell_angle_gamma                63.7730(10)
_cell_volume                     3685.39(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3975
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      19.13

_exptl_crystal_description       Block
_exptl_crystal_colour            silver
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_F_000             1464
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    2.217
_shelx_estimated_absorpt_T_min   0.809
_shelx_estimated_absorpt_T_max   0.878
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8087
_exptl_absorpt_correction_T_max  0.8785
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18256
_diffrn_reflns_av_unetI/netI     0.1512
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.571
_diffrn_reflns_theta_max         28.308
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             18256
_reflns_number_gt                9564
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0519P)²+2.2235P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.00048(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         18256
_refine_ls_number_parameters     732
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.1533
_refine_ls_R_factor_gt           0.0623
_refine_ls_wR_factor_ref         0.1496
_refine_ls_wR_factor_gt          0.1180
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.001
_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_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 0.19165(4) 0.86511(3) 0.20131(2) 0.01910(12) Uani 1 1 d . . . . .
O1 O 0.0412(3) 1.0354(2) 0.20638(17) 0.0303(9) Uani 1 1 d . . . . .
O2 O 0.2408(3) 0.9847(2) 0.10959(16) 0.0247(8) Uani 1 1 d . . . . .
O3 O 0.1583(2) 0.7280(2) 0.29286(15) 0.0196(7) Uani 1 1 d . . . . .
O4 O -0.1622(3) 0.5302(3) 0.36683(19) 0.0400(10) Uani 1 1 d . . . . .
N1 N -0.1358(3) 0.7731(3) 0.3590(2) 0.0240(10) Uani 1 1 d . . . . .
C1 C 0.0179(4) 1.1199(4) 0.1692(3) 0.0237(12) Uani 1 1 d . . . . .
C2 C 0.0871(4) 1.1411(4) 0.1088(3) 0.0274(12) Uani 1 1 d . . . . .
H2A H 0.0589 1.2057 0.0836 0.033 Uiso 1 1 calc R U . . .
C3 C 0.1938(4) 1.0741(4) 0.0834(2) 0.0244(12) Uani 1 1 d . . . . .
C4 C -0.0951(4) 1.2055(4) 0.1954(3) 0.0312(13) Uani 1 1 d . . . . .
C5 C -0.1702(5) 1.1564(5) 0.2405(4) 0.075(2) Uani 1 1 d . . . . .
H5A H -0.1382 1.1118 0.2771 0.112 Uiso 1 1 calc R U . . .
H5B H -0.2402 1.2104 0.2592 0.112 Uiso 1 1 calc R U . . .
H5C H -0.1808 1.1151 0.2145 0.112 Uiso 1 1 calc R U . . .
C6 C -0.1445(5) 1.2737(5) 0.1394(3) 0.064(2) Uani 1 1 d . . . . .
H6A H -0.1545 1.2322 0.1132 0.096 Uiso 1 1 calc R U . . .
H6B H -0.2150 1.3272 0.1582 0.096 Uiso 1 1 calc R U . . .
H6C H -0.0964 1.3062 0.1104 0.096 Uiso 1 1 calc R U . . .
C7 C -0.0791(5) 1.2682(5) 0.2365(3) 0.059(2) Uani 1 1 d . . . . .
H7A H -0.0469 1.2230 0.2728 0.089 Uiso 1 1 calc R U . . .
H7B H -0.0308 1.3007 0.2077 0.089 Uiso 1 1 calc R U . . .
H7C H -0.1494 1.3217 0.2556 0.089 Uiso 1 1 calc R U . . .
C8 C 0.2655(4) 1.1085(4) 0.0189(3) 0.0305(13) Uani 1 1 d . . . . .
C9 C 0.3602(5) 1.1083(5) 0.0388(3) 0.0492(17) Uani 1 1 d . . . . .
H9A H 0.3972 1.0405 0.0611 0.074 Uiso 1 1 calc R U . . .
H9B H 0.4112 1.1229 -0.0014 0.074 Uiso 1 1 calc R U . . .
H9C H 0.3329 1.1613 0.0695 0.074 Uiso 1 1 calc R U . . .
C10 C 0.3124(5) 1.0268(4) -0.0322(3) 0.0431(15) Uani 1 1 d . . . . .
H10A H 0.3507 0.9584 -0.0110 0.065 Uiso 1 1 calc R U . . .
H10B H 0.2531 1.0263 -0.0463 0.065 Uiso 1 1 calc R U . . .
H10C H 0.3630 1.0442 -0.0715 0.065 Uiso 1 1 calc R U . . .
C11 C 0.2072(5) 1.2126(4) -0.0158(3) 0.0503(17) Uani 1 1 d . . . . .
H11A H 0.1467 1.2118 -0.0283 0.075 Uiso 1 1 calc R U . . .
H11B H 0.1795 1.2660 0.0148 0.075 Uiso 1 1 calc R U . . .
H11C H 0.2578 1.2275 -0.0561 0.075 Uiso 1 1 calc R U . . .
C12 C 0.0589(4) 0.7551(3) 0.3437(2) 0.0207(11) Uani 1 1 d . . . . .
C13 C -0.0277(4) 0.7572(4) 0.3129(2) 0.0216(11) Uani 1 1 d . . . . .
H13A H -0.0376 0.8129 0.2756 0.026 Uiso 1 1 calc R U . . .
H13B H 0.0009 0.6912 0.2933 0.026 Uiso 1 1 calc R U . . .
C14 C -0.1772(4) 0.7024(4) 0.3500(3) 0.0269(12) Uani 1 1 d . . . . .
H14A H -0.1638 0.6986 0.3015 0.032 Uiso 1 1 calc R U . . .
H14B H -0.2565 0.7292 0.3695 0.032 Uiso 1 1 calc R U . . .
C15 C -0.1238(4) 0.5953(4) 0.3833(3) 0.0321(13) Uani 1 1 d . . . . .
H15A H -0.0439 0.5695 0.3667 0.039 Uiso 1 1 calc R U . . .
H15B H -0.1428 0.5967 0.4325 0.039 Uiso 1 1 calc R U . . .
C16 C -0.1259(5) 0.4304(4) 0.4018(3) 0.0466(16) Uani 1 1 d . . . . .
H16A H -0.1536 0.3877 0.3894 0.070 Uiso 1 1 calc R U . . .
H16B H -0.0465 0.3985 0.3899 0.070 Uiso 1 1 calc R U . . .
H16C H -0.1525 0.4362 0.4502 0.070 Uiso 1 1 calc R U . . .
C17 C 0.0279(4) 0.8606(4) 0.3660(3) 0.0274(12) Uani 1 1 d . . . . .
H17A H -0.0402 0.8787 0.4009 0.041 Uiso 1 1 calc R U . . .
H17B H 0.0853 0.8575 0.3839 0.041 Uiso 1 1 calc R U . . .
H17C H 0.0189 0.9129 0.3275 0.041 Uiso 1 1 calc R U . . .
C18 C 0.0728(4) 0.6734(4) 0.4041(2) 0.0268(12) Uani 1 1 d . . . . .
H18A H 0.0047 0.6920 0.4390 0.040 Uiso 1 1 calc R U . . .
H18B H 0.0922 0.6060 0.3900 0.040 Uiso 1 1 calc R U . . .
H18C H 0.1304 0.6701 0.4219 0.040 Uiso 1 1 calc R U . . .
C19 C -0.2149(4) 0.8817(4) 0.3574(3) 0.0284(12) Uani 1 1 d . . . . .
H19A H -0.1748 0.9249 0.3545 0.034 Uiso 1 1 calc R U . . .
C20 C -0.3028(4) 0.9005(4) 0.4230(3) 0.0410(15) Uani 1 1 d . . . . .
H20A H -0.3547 0.9727 0.4213 0.061 Uiso 1 1 calc R U . . .
H20B H -0.3406 0.8554 0.4295 0.061 Uiso 1 1 calc R U . . .
H20C H -0.2695 0.8854 0.4604 0.061 Uiso 1 1 calc R U . . .
C21 C -0.2657(4) 0.9197(4) 0.2965(3) 0.0442(16) Uani 1 1 d . . . . .
H21A H -0.3169 0.9920 0.2993 0.066 Uiso 1 1 calc R U . . .
H21B H -0.2083 0.9134 0.2550 0.066 Uiso 1 1 calc R U . . .
H21C H -0.3040 0.8776 0.2966 0.066 Uiso 1 1 calc R U . . .
Sr2 Sr 0.34605(4) 0.66386(3) 0.31042(2) 0.01824(12) Uani 1 1 d . . . . .
O5 O 0.3007(3) 0.8561(2) 0.28882(16) 0.0234(8) Uani 1 1 d . . . . .
O6 O 0.2787(3) 0.7371(2) 0.41895(16) 0.0247(8) Uani 1 1 d . . . . .
O7 O 0.3494(2) 0.6912(2) 0.19074(15) 0.0188(7) Uani 1 1 d . . . . .
O8 O 0.5192(3) 0.5750(3) 0.36180(16) 0.0290(8) Uani 1 1 d . . . . .
N2 N 0.5621(3) 0.5937(3) 0.22022(19) 0.0211(9) Uani 1 1 d . . . . .
C22 C 0.2983(4) 0.9184(3) 0.3231(2) 0.0182(10) Uani 1 1 d . U . . .
C23 C 0.2760(4) 0.9046(3) 0.3948(3) 0.0272(12) Uani 1 1 d . U . . .
H23A H 0.2715 0.9585 0.4158 0.033 Uiso 1 1 calc R U . . .
C24 C 0.2598(4) 0.8216(4) 0.4381(2) 0.0244(12) Uani 1 1 d . . . . .
C25 C 0.3063(5) 1.0198(4) 0.2882(3) 0.0319(13) Uani 1 1 d . . . . .
C26 C 0.1960(6) 1.0958(5) 0.2774(5) 0.093(3) Uani 1 1 d . . . . .
H26A H 0.1436 1.1104 0.3210 0.140 Uiso 1 1 calc R U . . .
H26B H 0.2010 1.1600 0.2533 0.140 Uiso 1 1 calc R U . . .
H26C H 0.1721 1.0661 0.2511 0.140 Uiso 1 1 calc R U . . .
C27 C 0.3469(5) 1.0676(5) 0.3264(3) 0.0496(17) Uani 1 1 d . . . . .
H27A H 0.4181 1.0182 0.3332 0.074 Uiso 1 1 calc R U . . .
H27B H 0.3529 1.1305 0.3005 0.074 Uiso 1 1 calc R U . . .
H27C H 0.2955 1.0847 0.3701 0.074 Uiso 1 1 calc R U . . .
C28 C 0.3881(6) 0.9971(5) 0.2201(3) 0.064(2) Uani 1 1 d . . . . .
H28A H 0.4593 0.9481 0.2270 0.096 Uiso 1 1 calc R U . . .
H28B H 0.3642 0.9674 0.1938 0.096 Uiso 1 1 calc R U . . .
H28C H 0.3931 1.0613 0.1960 0.096 Uiso 1 1 calc R U . . .
C29 C 0.2162(4) 0.8308(4) 0.5146(3) 0.0297(13) Uani 1 1 d . . . . .
C30 C 0.1009(5) 0.8394(5) 0.5323(3) 0.0452(16) Uani 1 1 d . . . . .
H30A H 0.0572 0.9019 0.5084 0.068 Uiso 1 1 calc R U . . .
H30B H 0.1004 0.7789 0.5192 0.068 Uiso 1 1 calc R U . . .
H30C H 0.0703 0.8428 0.5807 0.068 Uiso 1 1 calc R U . . .
C31 C 0.2841(4) 0.7337(4) 0.5517(3) 0.0373(14) Uani 1 1 d . . . . .
H31A H 0.3587 0.7283 0.5402 0.056 Uiso 1 1 calc R U . . .
H31B H 0.2536 0.7371 0.6002 0.056 Uiso 1 1 calc R U . . .
H31C H 0.2837 0.6732 0.5386 0.056 Uiso 1 1 calc R U . . .
C32 C 0.2189(6) 0.9229(4) 0.5363(3) 0.062(2) Uani 1 1 d . . . . .
H32A H 0.2938 0.9165 0.5247 0.093 Uiso 1 1 calc R U . . .
H32B H 0.1751 0.9866 0.5134 0.093 Uiso 1 1 calc R U . . .
H32C H 0.1893 0.9247 0.5850 0.093 Uiso 1 1 calc R U . . .
C33 C 0.4437(4) 0.6704(3) 0.1370(2) 0.0219(11) Uani 1 1 d . . . . .
C34 C 0.5384(4) 0.5793(3) 0.1604(2) 0.0206(11) Uani 1 1 d . . . . .
H34A H 0.5225 0.5171 0.1703 0.025 Uiso 1 1 calc R U . . .
H34B H 0.6044 0.5662 0.1230 0.025 Uiso 1 1 calc R U . . .
C35 C 0.6005(4) 0.4929(4) 0.2604(2) 0.0239(12) Uani 1 1 d . . . . .
H35A H 0.6699 0.4463 0.2336 0.029 Uiso 1 1 calc R U . . .
H35B H 0.5472 0.4621 0.2692 0.029 Uiso 1 1 calc R U . . .
C36 C 0.6168(4) 0.4985(4) 0.3262(2) 0.0285(12) Uani 1 1 d . . . . .
H36A H 0.6328 0.4305 0.3529 0.034 Uiso 1 1 calc R U . . .
H36B H 0.6787 0.5176 0.3184 0.034 Uiso 1 1 calc R U . . .
C37 C 0.5351(5) 0.5942(5) 0.4207(3) 0.0424(15) Uani 1 1 d . . . . .
H37A H 0.4678 0.6464 0.4441 0.064 Uiso 1 1 calc R U . . .
H37B H 0.5555 0.5302 0.4504 0.064 Uiso 1 1 calc R U . . .
H37C H 0.5930 0.6192 0.4077 0.064 Uiso 1 1 calc R U . . .
C38 C 0.4277(4) 0.6369(4) 0.0782(2) 0.0282(12) Uani 1 1 d . . . . .
H38A H 0.4218 0.5703 0.0915 0.042 Uiso 1 1 calc R U . . .
H38B H 0.4898 0.6306 0.0396 0.042 Uiso 1 1 calc R U . . .
H38C H 0.3612 0.6887 0.0660 0.042 Uiso 1 1 calc R U . . .
C39 C 0.4637(4) 0.7690(4) 0.1118(3) 0.0283(12) Uani 1 1 d . . . . .
H39A H 0.5289 0.7549 0.0747 0.042 Uiso 1 1 calc R U . . .
H39B H 0.4013 0.8227 0.0963 0.042 Uiso 1 1 calc R U . . .
H39C H 0.4739 0.7924 0.1484 0.042 Uiso 1 1 calc R U . . .
C40 C 0.6408(4) 0.6439(4) 0.1997(3) 0.0283(12) Uani 1 1 d . . . . .
H40A H 0.6237 0.6908 0.1586 0.034 Uiso 1 1 calc R U . . .
C41 C 0.7587(4) 0.5708(4) 0.1774(3) 0.0391(15) Uani 1 1 d . . . . .
H41A H 0.8046 0.6096 0.1649 0.059 Uiso 1 1 calc R U . . .
H41B H 0.7794 0.5179 0.2141 0.059 Uiso 1 1 calc R U . . .
H41C H 0.7683 0.5379 0.1386 0.059 Uiso 1 1 calc R U . . .
C42 C 0.6229(5) 0.7143(4) 0.2495(3) 0.0401(15) Uani 1 1 d . . . . .
H42A H 0.6767 0.7446 0.2332 0.060 Uiso 1 1 calc R U . . .
H42B H 0.5499 0.7695 0.2545 0.060 Uiso 1 1 calc R U . . .
H42C H 0.6305 0.6746 0.2930 0.060 Uiso 1 1 calc R U . . .
Sr3 Sr 0.22371(4) 0.60874(3) 0.20200(2) 0.01825(12) Uani 1 1 d . . . . .
O9 O 0.3221(2) 0.4994(2) 0.30337(16) 0.0217(8) Uani 1 1 d . . . . .
O10 O 0.3714(2) 0.4377(2) 0.17287(16) 0.0225(8) Uani 1 1 d . . . . .
O11 O 0.1313(2) 0.7786(2) 0.14690(16) 0.0224(8) Uani 1 1 d . . . . .
O12 O 0.1109(3) 0.4966(2) 0.23229(16) 0.0241(8) Uani 1 1 d . . . . .
N3 N 0.1204(3) 0.6152(3) 0.10483(19) 0.0187(9) Uani 1 1 d . . . . .
C43 C 0.3727(3) 0.4028(3) 0.3148(2) 0.0098(9) Uani 1 1 d . . . . .
C44 C 0.4287(4) 0.3315(3) 0.2673(2) 0.0214(11) Uani 1 1 d . . . . .
H44A H 0.4686 0.2623 0.2825 0.026 Uiso 1 1 calc R U . . .
C45 C 0.4309(4) 0.3537(3) 0.1981(3) 0.0225(11) Uani 1 1 d . . . . .
C46 C 0.3623(4) 0.3602(4) 0.3901(2) 0.0254(12) Uani 1 1 d . . . . .
C47 C 0.2582(5) 0.3407(4) 0.4152(3) 0.0381(14) Uani 1 1 d . . . . .
H47A H 0.2631 0.2901 0.3890 0.057 Uiso 1 1 calc R U . . .
H47B H 0.2494 0.3141 0.4626 0.057 Uiso 1 1 calc R U . . .
H47C H 0.1958 0.4054 0.4099 0.057 Uiso 1 1 calc R U . . .
C48 C 0.4590(5) 0.2582(4) 0.4022(3) 0.0443(16) Uani 1 1 d . . . . .
H48A H 0.4665 0.2061 0.3762 0.066 Uiso 1 1 calc R U . . .
H48B H 0.5256 0.2702 0.3882 0.066 Uiso 1 1 calc R U . . .
H48C H 0.4460 0.2338 0.4501 0.066 Uiso 1 1 calc R U . . .
C49 C 0.3533(5) 0.4396(4) 0.4316(3) 0.0364(14) Uani 1 1 d . . . . .
H49A H 0.4194 0.4526 0.4160 0.055 Uiso 1 1 calc R U . . .
H49B H 0.2906 0.5040 0.4264 0.055 Uiso 1 1 calc R U . . .
H49C H 0.3442 0.4127 0.4790 0.055 Uiso 1 1 calc R U . . .
C50 C 0.5100(4) 0.2721(3) 0.1489(2) 0.0229(11) Uani 1 1 d . . . . .
C51 C 0.4437(4) 0.2531(4) 0.1125(3) 0.0337(14) Uani 1 1 d . . . . .
H51A H 0.3948 0.2242 0.1449 0.050 Uiso 1 1 calc R U . . .
H51B H 0.4012 0.3185 0.0903 0.050 Uiso 1 1 calc R U . . .
H51C H 0.4926 0.2045 0.0789 0.050 Uiso 1 1 calc R U . . .
C52 C 0.5782(4) 0.1685(4) 0.1819(3) 0.0342(14) Uani 1 1 d . . . . .
H52A H 0.6212 0.1797 0.2055 0.051 Uiso 1 1 calc R U . . .
H52B H 0.5301 0.1383 0.2140 0.051 Uiso 1 1 calc R U . . .
H52C H 0.6267 0.1215 0.1474 0.051 Uiso 1 1 calc R U . . .
C53 C 0.5866(4) 0.3172(4) 0.0989(3) 0.0320(13) Uani 1 1 d . . . . .
H53A H 0.6289 0.3291 0.1227 0.048 Uiso 1 1 calc R U . . .
H53B H 0.6358 0.2687 0.0653 0.048 Uiso 1 1 calc R U . . .
H53C H 0.5444 0.3827 0.0767 0.048 Uiso 1 1 calc R U . . .
C54 C 0.0810(4) 0.8086(3) 0.0930(2) 0.0130(10) Uani 1 1 d . . . . .
C55 C 0.1073(4) 0.7123(3) 0.0599(2) 0.0208(11) Uani 1 1 d . . . . .
H55A H 0.0487 0.7281 0.0381 0.025 Uiso 1 1 calc R U . . .
H55B H 0.1751 0.6999 0.0241 0.025 Uiso 1 1 calc R U . . .
C56 C 0.0175(4) 0.6255(4) 0.1554(2) 0.0228(11) Uani 1 1 d . . . . .
H56A H -0.0402 0.6457 0.1320 0.027 Uiso 1 1 calc R U . . .
H56B H -0.0032 0.6816 0.1831 0.027 Uiso 1 1 calc R U . . .
C57 C 0.0236(4) 0.5279(4) 0.2011(2) 0.0243(12) Uani 1 1 d . . . . .
H57A H -0.0455 0.5407 0.2358 0.029 Uiso 1 1 calc R U . . .
H57B H 0.0365 0.4729 0.1749 0.029 Uiso 1 1 calc R U . . .
C58 C 0.1462(4) 0.3895(4) 0.2585(3) 0.0319(13) Uani 1 1 d . . . . .
H58A H 0.2057 0.3712 0.2793 0.048 Uiso 1 1 calc R U . . .
H58B H 0.0856 0.3782 0.2921 0.048 Uiso 1 1 calc R U . . .
H58C H 0.1711 0.3463 0.2219 0.048 Uiso 1 1 calc R U . . .
C59 C 0.1291(4) 0.8761(4) 0.0381(2) 0.0271(12) Uani 1 1 d . . . . .
H59A H 0.0940 0.8966 0.0009 0.041 Uiso 1 1 calc R U . . .
H59B H 0.1168 0.9378 0.0567 0.041 Uiso 1 1 calc R U . . .
H59C H 0.2071 0.8368 0.0216 0.041 Uiso 1 1 calc R U . . .
C60 C -0.0405(4) 0.8736(4) 0.1163(3) 0.0263(12) Uani 1 1 d . . . . .
H60A H -0.0737 0.8935 0.0784 0.039 Uiso 1 1 calc R U . . .
H60B H -0.0742 0.8333 0.1517 0.039 Uiso 1 1 calc R U . . .
H60C H -0.0514 0.9357 0.1338 0.039 Uiso 1 1 calc R U . . .
C61 C 0.1649(4) 0.5234(4) 0.0664(2) 0.0225(11) Uani 1 1 d . . . . .
H61A H 0.1781 0.4617 0.1001 0.027 Uiso 1 1 calc R U . . .
C62 C 0.0876(4) 0.5213(4) 0.0307(3) 0.0296(13) Uani 1 1 d . . . . .
H62A H 0.1226 0.4592 0.0069 0.044 Uiso 1 1 calc R U . . .
H62B H 0.0215 0.5209 0.0638 0.044 Uiso 1 1 calc R U . . .
H62C H 0.0689 0.5826 -0.0014 0.044 Uiso 1 1 calc R U . . .
C63 C 0.2738(4) 0.5089(4) 0.0180(2) 0.0269(12) Uani 1 1 d . . . . .
H63A H 0.2998 0.4483 -0.0060 0.040 Uiso 1 1 calc R U . . .
H63B H 0.2661 0.5702 -0.0143 0.040 Uiso 1 1 calc R U . . .
H63C H 0.3259 0.4990 0.0430 0.040 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 O11 2.414(3) . ?
Sr1 O2 2.448(3) . ?
Sr1 O1 2.448(3) . ?
Sr1 O7 2.525(3) . ?
Sr1 O3 2.547(3) . ?
Sr1 O5 2.705(3) . ?
Sr1 Sr3 3.5420(6) . ?
Sr1 Sr2 3.6298(6) . ?
O1 C1 1.269(5) . ?
O2 C3 1.259(5) . ?
O3 C12 1.428(5) . ?
O3 Sr2 2.526(3) . ?
O3 Sr3 2.540(3) . ?
O4 C16 1.420(6) . ?
O4 C15 1.425(6) . ?
N1 C14 1.457(6) . ?
N1 C19 1.478(6) . ?
N1 C13 1.485(6) . ?
C1 C2 1.412(7) . ?
C1 C4 1.552(7) . ?
C2 C3 1.395(7) . ?
C2 H2A 0.9500 . ?
C3 C8 1.556(7) . ?
C4 C6 1.503(7) . ?
C4 C7 1.511(7) . ?
C4 C5 1.513(8) . ?
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 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C11 1.514(7) . ?
C8 C9 1.526(7) . ?
C8 C10 1.557(7) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C17 1.534(6) . ?
C12 C18 1.534(6) . ?
C12 C13 1.547(6) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.516(7) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
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 1.527(7) . ?
C19 C21 1.544(7) . ?
C19 H19A 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
Sr2 O7 2.456(3) . ?
Sr2 O6 2.467(3) . ?
Sr2 O5 2.539(3) . ?
Sr2 O9 2.597(3) . ?
Sr2 O8 2.670(3) . ?
Sr2 N2 2.915(4) . ?
Sr2 Sr3 3.6604(6) . ?
O5 C22 1.260(5) . ?
O6 C24 1.265(5) . ?
O7 C33 1.418(5) . ?
O7 Sr3 2.483(3) . ?
O8 C37 1.434(6) . ?
O8 C36 1.439(5) . ?
N2 C34 1.480(6) . ?
N2 C35 1.481(6) . ?
N2 C40 1.499(6) . ?
C22 C23 1.433(6) . ?
C22 C25 1.530(6) . ?
C23 C24 1.402(6) . ?
C23 H23A 0.9500 . ?
C24 C29 1.549(7) . ?
C25 C26 1.518(8) . ?
C25 C28 1.530(8) . ?
C25 C27 1.533(7) . ?
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 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.514(7) . ?
C29 C31 1.521(7) . ?
C29 C32 1.524(7) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C39 1.531(6) . ?
C33 C34 1.536(6) . ?
C33 C38 1.537(6) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.501(7) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C42 1.511(7) . ?
C40 C41 1.519(7) . ?
C40 H40A 1.0000 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
Sr3 O11 2.447(3) . ?
Sr3 O10 2.490(3) . ?
Sr3 O12 2.613(3) . ?
Sr3 O9 2.731(3) . ?
Sr3 N3 2.834(4) . ?
O9 C43 1.269(5) . ?
O10 C45 1.253(5) . ?
O11 C54 1.416(5) . ?
O12 C57 1.432(5) . ?
O12 C58 1.444(5) . ?
N3 C56 1.481(6) . ?
N3 C55 1.488(5) . ?
N3 C61 1.497(6) . ?
C43 C44 1.392(6) . ?
C43 C46 1.557(6) . ?
C44 C45 1.417(6) . ?
C44 H44A 0.9500 . ?
C45 C50 1.541(6) . ?
C46 C49 1.535(7) . ?
C46 C47 1.535(7) . ?
C46 C48 1.549(7) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C51 1.524(7) . ?
C50 C53 1.527(7) . ?
C50 C52 1.535(6) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C60 1.529(6) . ?
C54 C59 1.539(6) . ?
C54 C55 1.545(6) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C57 1.512(6) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C63 1.515(6) . ?
C61 C62 1.524(6) . ?
C61 H61A 1.0000 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 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
O11 Sr1 O2 102.11(11) . . ?
O11 Sr1 O1 100.40(11) . . ?
O2 Sr1 O1 70.22(11) . . ?
O11 Sr1 O7 78.84(10) . . ?
O2 Sr1 O7 107.61(10) . . ?
O1 Sr1 O7 177.56(11) . . ?
O11 Sr1 O3 77.50(10) . . ?
O2 Sr1 O3 174.64(10) . . ?
O1 Sr1 O3 115.13(10) . . ?
O7 Sr1 O3 67.05(9) . . ?
O11 Sr1 O5 149.27(9) . . ?
O2 Sr1 O5 101.73(10) . . ?
O1 Sr1 O5 105.75(10) . . ?
O7 Sr1 O5 75.65(9) . . ?
O3 Sr1 O5 76.96(9) . . ?
O11 Sr1 Sr3 43.59(7) . . ?
O2 Sr1 Sr3 130.73(7) . . ?
O1 Sr1 Sr3 136.02(8) . . ?
O7 Sr1 Sr3 44.51(7) . . ?
O3 Sr1 Sr3 45.79(7) . . ?
O5 Sr1 Sr3 105.70(6) . . ?
O11 Sr1 Sr2 104.93(7) . . ?
O2 Sr1 Sr2 131.78(7) . . ?
O1 Sr1 Sr2 139.82(8) . . ?
O7 Sr1 Sr2 42.48(7) . . ?
O3 Sr1 Sr2 44.08(7) . . ?
O5 Sr1 Sr2 44.34(6) . . ?
Sr3 Sr1 Sr2 61.365(12) . . ?
C1 O1 Sr1 136.5(3) . . ?
C3 O2 Sr1 137.4(3) . . ?
C12 O3 Sr2 126.3(3) . . ?
C12 O3 Sr3 127.8(2) . . ?
Sr2 O3 Sr3 92.53(10) . . ?
C12 O3 Sr1 119.6(2) . . ?
Sr2 O3 Sr1 91.37(10) . . ?
Sr3 O3 Sr1 88.24(9) . . ?
C16 O4 C15 111.5(4) . . ?
C14 N1 C19 112.9(4) . . ?
C14 N1 C13 111.7(4) . . ?
C19 N1 C13 113.6(4) . . ?
O1 C1 C2 125.3(4) . . ?
O1 C1 C4 115.3(4) . . ?
C2 C1 C4 119.4(4) . . ?
C3 C2 C1 124.7(4) . . ?
C3 C2 H2A 117.7 . . ?
C1 C2 H2A 117.7 . . ?
O2 C3 C2 125.0(5) . . ?
O2 C3 C8 114.7(4) . . ?
C2 C3 C8 120.4(4) . . ?
C6 C4 C7 110.2(5) . . ?
C6 C4 C5 109.3(5) . . ?
C7 C4 C5 108.8(5) . . ?
C6 C4 C1 112.3(4) . . ?
C7 C4 C1 106.9(4) . . ?
C5 C4 C1 109.4(4) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C11 C8 C9 110.2(5) . . ?
C11 C8 C3 114.9(4) . . ?
C9 C8 C3 107.1(4) . . ?
C11 C8 C10 107.8(5) . . ?
C9 C8 C10 108.0(5) . . ?
C3 C8 C10 108.6(4) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O3 C12 C17 109.9(4) . . ?
O3 C12 C18 109.4(4) . . ?
C17 C12 C18 109.3(4) . . ?
O3 C12 C13 106.8(4) . . ?
C17 C12 C13 111.3(4) . . ?
C18 C12 C13 110.0(4) . . ?
N1 C13 C12 116.5(4) . . ?
N1 C13 H13A 108.2 . . ?
C12 C13 H13A 108.2 . . ?
N1 C13 H13B 108.2 . . ?
C12 C13 H13B 108.2 . . ?
H13A C13 H13B 107.3 . . ?
N1 C14 C15 111.5(4) . . ?
N1 C14 H14A 109.3 . . ?
C15 C14 H14A 109.3 . . ?
N1 C14 H14B 109.3 . . ?
C15 C14 H14B 109.3 . . ?
H14A C14 H14B 108.0 . . ?
O4 C15 C14 107.3(4) . . ?
O4 C15 H15A 110.3 . . ?
C14 C15 H15A 110.3 . . ?
O4 C15 H15B 110.3 . . ?
C14 C15 H15B 110.3 . . ?
H15A C15 H15B 108.5 . . ?
O4 C16 H16A 109.5 . . ?
O4 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O4 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C12 C18 H18A 109.5 . . ?
C12 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C12 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N1 C19 C20 110.3(4) . . ?
N1 C19 C21 114.8(4) . . ?
C20 C19 C21 110.8(4) . . ?
N1 C19 H19A 106.8 . . ?
C20 C19 H19A 106.8 . . ?
C21 C19 H19A 106.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O7 Sr2 O6 148.16(10) . . ?
O7 Sr2 O3 68.42(10) . . ?
O6 Sr2 O3 93.43(10) . . ?
O7 Sr2 O5 79.97(10) . . ?
O6 Sr2 O5 71.08(10) . . ?
O3 Sr2 O5 80.44(10) . . ?
O7 Sr2 O9 82.07(10) . . ?
O6 Sr2 O9 119.35(10) . . ?
O3 Sr2 O9 74.64(10) . . ?
O5 Sr2 O9 153.31(10) . . ?
O7 Sr2 O8 125.88(10) . . ?
O6 Sr2 O8 76.84(10) . . ?
O3 Sr2 O8 164.02(10) . . ?
O5 Sr2 O8 107.65(10) . . ?
O9 Sr2 O8 98.87(10) . . ?
O7 Sr2 N2 65.17(10) . . ?
O6 Sr2 N2 130.70(11) . . ?
O3 Sr2 N2 133.08(10) . . ?
O5 Sr2 N2 97.76(10) . . ?
O9 Sr2 N2 92.39(10) . . ?
O8 Sr2 N2 60.71(10) . . ?
O7 Sr2 Sr1 43.97(7) . . ?
O6 Sr2 Sr1 104.74(7) . . ?
O3 Sr2 Sr1 44.56(7) . . ?
O5 Sr2 Sr1 48.12(7) . . ?
O9 Sr2 Sr1 105.76(7) . . ?
O8 Sr2 Sr1 149.98(8) . . ?
N2 Sr2 Sr1 100.80(7) . . ?
O7 Sr2 Sr3 42.46(7) . . ?
O6 Sr2 Sr3 135.12(8) . . ?
O3 Sr2 Sr3 43.89(7) . . ?
O5 Sr2 Sr3 106.25(7) . . ?
O9 Sr2 Sr3 48.15(7) . . ?
O8 Sr2 Sr3 139.94(7) . . ?
N2 Sr2 Sr3 94.16(8) . . ?
Sr1 Sr2 Sr3 58.135(12) . . ?
C22 O5 Sr2 131.8(3) . . ?
C22 O5 Sr1 136.2(3) . . ?
Sr2 O5 Sr1 87.54(9) . . ?
C24 O6 Sr2 135.9(3) . . ?
C33 O7 Sr2 125.6(3) . . ?
C33 O7 Sr3 119.8(3) . . ?
Sr2 O7 Sr3 95.65(10) . . ?
C33 O7 Sr1 123.5(2) . . ?
Sr2 O7 Sr1 93.56(10) . . ?
Sr3 O7 Sr1 90.03(10) . . ?
C37 O8 C36 110.8(4) . . ?
C37 O8 Sr2 130.0(3) . . ?
C36 O8 Sr2 119.1(3) . . ?
C34 N2 C35 109.1(3) . . ?
C34 N2 C40 110.3(4) . . ?
C35 N2 C40 113.2(4) . . ?
C34 N2 Sr2 100.8(3) . . ?
C35 N2 Sr2 93.1(3) . . ?
C40 N2 Sr2 128.2(3) . . ?
O5 C22 C23 122.9(4) . . ?
O5 C22 C25 119.2(4) . . ?
C23 C22 C25 117.5(4) . . ?
C24 C23 C22 128.3(4) . . ?
C24 C23 H23A 115.8 . . ?
C22 C23 H23A 115.8 . . ?
O6 C24 C23 124.1(5) . . ?
O6 C24 C29 116.2(4) . . ?
C23 C24 C29 119.7(4) . . ?
C26 C25 C28 109.4(6) . . ?
C26 C25 C22 108.8(5) . . ?
C28 C25 C22 107.7(4) . . ?
C26 C25 C27 109.9(5) . . ?
C28 C25 C27 107.1(5) . . ?
C22 C25 C27 113.8(4) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C31 109.6(5) . . ?
C30 C29 C32 110.2(5) . . ?
C31 C29 C32 107.8(5) . . ?
C30 C29 C24 106.2(4) . . ?
C31 C29 C24 109.3(4) . . ?
C32 C29 C24 113.7(4) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O7 C33 C39 109.2(4) . . ?
O7 C33 C34 108.9(4) . . ?
C39 C33 C34 114.0(4) . . ?
O7 C33 C38 110.3(4) . . ?
C39 C33 C38 107.6(4) . . ?
C34 C33 C38 106.8(4) . . ?
N2 C34 C33 115.2(4) . . ?
N2 C34 H34A 108.5 . . ?
C33 C34 H34A 108.5 . . ?
N2 C34 H34B 108.5 . . ?
C33 C34 H34B 108.5 . . ?
H34A C34 H34B 107.5 . . ?
N2 C35 C36 114.5(4) . . ?
N2 C35 H35A 108.6 . . ?
C36 C35 H35A 108.6 . . ?
N2 C35 H35B 108.6 . . ?
C36 C35 H35B 108.6 . . ?
H35A C35 H35B 107.6 . . ?
O8 C36 C35 108.3(4) . . ?
O8 C36 H36A 110.0 . . ?
C35 C36 H36A 110.0 . . ?
O8 C36 H36B 110.0 . . ?
C35 C36 H36B 110.0 . . ?
H36A C36 H36B 108.4 . . ?
O8 C37 H37A 109.5 . . ?
O8 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
O8 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C33 C39 H39A 109.5 . . ?
C33 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C33 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N2 C40 C42 113.5(4) . . ?
N2 C40 C41 114.6(4) . . ?
C42 C40 C41 112.9(4) . . ?
N2 C40 H40A 104.8 . . ?
C42 C40 H40A 104.8 . . ?
C41 C40 H40A 104.8 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O11 Sr3 O7 79.04(10) . . ?
O11 Sr3 O10 139.65(11) . . ?
O7 Sr3 O10 94.35(10) . . ?
O11 Sr3 O3 77.05(10) . . ?
O7 Sr3 O3 67.78(10) . . ?
O10 Sr3 O3 137.23(10) . . ?
O11 Sr3 O12 111.82(10) . . ?
O7 Sr3 O12 168.44(10) . . ?
O10 Sr3 O12 79.90(10) . . ?
O3 Sr3 O12 109.82(10) . . ?
O11 Sr3 O9 147.09(10) . . ?
O7 Sr3 O9 78.91(9) . . ?
O10 Sr3 O9 66.29(10) . . ?
O3 Sr3 O9 72.11(9) . . ?
O12 Sr3 O9 89.58(9) . . ?
O11 Sr3 N3 63.25(10) . . ?
O7 Sr3 N3 127.63(10) . . ?
O10 Sr3 N3 92.49(10) . . ?
O3 Sr3 N3 129.57(10) . . ?
O12 Sr3 N3 63.06(10) . . ?
O9 Sr3 N3 148.61(10) . . ?
O11 Sr3 Sr1 42.86(7) . . ?
O7 Sr3 Sr1 45.47(7) . . ?
O10 Sr3 Sr1 139.01(7) . . ?
O3 Sr3 Sr1 45.96(7) . . ?
O12 Sr3 Sr1 141.09(7) . . ?
O9 Sr3 Sr1 105.08(6) . . ?
N3 Sr3 Sr1 105.98(7) . . ?
O11 Sr3 Sr2 103.34(7) . . ?
O7 Sr3 Sr2 41.89(7) . . ?
O10 Sr3 Sr2 96.98(7) . . ?
O3 Sr3 Sr2 43.58(7) . . ?
O12 Sr3 Sr2 128.40(7) . . ?
O9 Sr3 Sr2 45.10(6) . . ?
N3 Sr3 Sr2 166.29(7) . . ?
Sr1 Sr3 Sr2 60.501(12) . . ?
C43 O9 Sr2 136.3(3) . . ?
C43 O9 Sr3 129.8(3) . . ?
Sr2 O9 Sr3 86.75(9) . . ?
C45 O10 Sr3 142.5(3) . . ?
C54 O11 Sr1 133.8(2) . . ?
C54 O11 Sr3 131.6(2) . . ?
Sr1 O11 Sr3 93.56(11) . . ?
C57 O12 C58 112.0(4) . . ?
C57 O12 Sr3 118.3(3) . . ?
C58 O12 Sr3 126.3(3) . . ?
C56 N3 C55 110.7(3) . . ?
C56 N3 C61 112.3(3) . . ?
C55 N3 C61 112.1(4) . . ?
C56 N3 Sr3 92.9(3) . . ?
C55 N3 Sr3 108.3(2) . . ?
C61 N3 Sr3 118.9(3) . . ?
O9 C43 C44 126.3(4) . . ?
O9 C43 C46 115.9(4) . . ?
C44 C43 C46 117.5(4) . . ?
C43 C44 C45 125.4(4) . . ?
C43 C44 H44A 117.3 . . ?
C45 C44 H44A 117.3 . . ?
O10 C45 C44 123.9(4) . . ?
O10 C45 C50 116.0(4) . . ?
C44 C45 C50 120.1(4) . . ?
C49 C46 C47 108.8(4) . . ?
C49 C46 C48 107.8(4) . . ?
C47 C46 C48 108.5(4) . . ?
C49 C46 C43 110.5(4) . . ?
C47 C46 C43 107.7(4) . . ?
C48 C46 C43 113.4(4) . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C46 C49 H49A 109.5 . . ?
C46 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C46 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C51 C50 C53 110.0(4) . . ?
C51 C50 C52 108.7(4) . . ?
C53 C50 C52 108.5(4) . . ?
C51 C50 C45 107.9(4) . . ?
C53 C50 C45 107.2(4) . . ?
C52 C50 C45 114.6(4) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
O11 C54 C60 110.8(4) . . ?
O11 C54 C59 109.8(4) . . ?
C60 C54 C59 107.0(4) . . ?
O11 C54 C55 109.7(3) . . ?
C60 C54 C55 113.7(4) . . ?
C59 C54 C55 105.7(4) . . ?
N3 C55 C54 116.5(4) . . ?
N3 C55 H55A 108.2 . . ?
C54 C55 H55A 108.2 . . ?
N3 C55 H55B 108.2 . . ?
C54 C55 H55B 108.2 . . ?
H55A C55 H55B 107.3 . . ?
N3 C56 C57 113.6(4) . . ?
N3 C56 H56A 108.8 . . ?
C57 C56 H56A 108.8 . . ?
N3 C56 H56B 108.8 . . ?
C57 C56 H56B 108.8 . . ?
H56A C56 H56B 107.7 . . ?
O12 C57 C56 108.4(4) . . ?
O12 C57 H57A 110.0 . . ?
C56 C57 H57A 110.0 . . ?
O12 C57 H57B 110.0 . . ?
C56 C57 H57B 110.0 . . ?
H57A C57 H57B 108.4 . . ?
O12 C58 H58A 109.5 . . ?
O12 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
O12 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C54 C59 H59A 109.5 . . ?
C54 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C54 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C54 C60 H60A 109.5 . . ?
C54 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C54 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
N3 C61 C63 112.2(4) . . ?
N3 C61 C62 114.6(4) . . ?
C63 C61 C62 110.6(4) . . ?
N3 C61 H61A 106.3 . . ?
C63 C61 H61A 106.3 . . ?
C62 C61 H61A 106.3 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 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 O1 C1 C2 -5.4(8) . . . . ?
Sr1 O1 C1 C4 176.8(3) . . . . ?
O1 C1 C2 C3 -4.1(8) . . . . ?
C4 C1 C2 C3 173.7(5) . . . . ?
Sr1 O2 C3 C2 7.8(8) . . . . ?
Sr1 O2 C3 C8 -173.5(3) . . . . ?
C1 C2 C3 O2 2.9(8) . . . . ?
C1 C2 C3 C8 -175.7(5) . . . . ?
O1 C1 C4 C6 -147.5(5) . . . . ?
C2 C1 C4 C6 34.5(7) . . . . ?
O1 C1 C4 C7 91.6(6) . . . . ?
C2 C1 C4 C7 -86.4(6) . . . . ?
O1 C1 C4 C5 -26.0(7) . . . . ?
C2 C1 C4 C5 156.0(5) . . . . ?
O2 C3 C8 C11 175.7(5) . . . . ?
C2 C3 C8 C11 -5.6(7) . . . . ?
O2 C3 C8 C9 -61.6(6) . . . . ?
C2 C3 C8 C9 117.2(5) . . . . ?
O2 C3 C8 C10 54.9(6) . . . . ?
C2 C3 C8 C10 -126.4(5) . . . . ?
Sr2 O3 C12 C17 76.0(4) . . . . ?
Sr3 O3 C12 C17 -154.3(3) . . . . ?
Sr1 O3 C12 C17 -40.9(4) . . . . ?
Sr2 O3 C12 C18 -44.1(4) . . . . ?
Sr3 O3 C12 C18 85.7(4) . . . . ?
Sr1 O3 C12 C18 -161.0(3) . . . . ?
Sr2 O3 C12 C13 -163.1(3) . . . . ?
Sr3 O3 C12 C13 -33.4(5) . . . . ?
Sr1 O3 C12 C13 79.9(4) . . . . ?
C14 N1 C13 C12 -135.2(4) . . . . ?
C19 N1 C13 C12 95.8(5) . . . . ?
O3 C12 C13 N1 173.8(3) . . . . ?
C17 C12 C13 N1 -66.3(5) . . . . ?
C18 C12 C13 N1 55.1(5) . . . . ?
C19 N1 C14 C15 -152.9(4) . . . . ?
C13 N1 C14 C15 77.7(5) . . . . ?
C16 O4 C15 C14 -173.5(4) . . . . ?
N1 C14 C15 O4 -175.0(4) . . . . ?
C14 N1 C19 C20 75.5(5) . . . . ?
C13 N1 C19 C20 -156.0(4) . . . . ?
C14 N1 C19 C21 -50.6(6) . . . . ?
C13 N1 C19 C21 77.9(5) . . . . ?
Sr2 O5 C22 C23 -28.3(7) . . . . ?
Sr1 O5 C22 C23 119.7(4) . . . . ?
Sr2 O5 C22 C25 159.1(3) . . . . ?
Sr1 O5 C22 C25 -52.9(6) . . . . ?
O5 C22 C23 C24 3.9(8) . . . . ?
C25 C22 C23 C24 176.7(5) . . . . ?
Sr2 O6 C24 C23 -0.2(8) . . . . ?
Sr2 O6 C24 C29 179.9(3) . . . . ?
C22 C23 C24 O6 11.1(9) . . . . ?
C22 C23 C24 C29 -169.0(5) . . . . ?
O5 C22 C25 C26 79.8(6) . . . . ?
C23 C22 C25 C26 -93.2(6) . . . . ?
O5 C22 C25 C28 -38.7(6) . . . . ?
C23 C22 C25 C28 148.3(5) . . . . ?
O5 C22 C25 C27 -157.2(5) . . . . ?
C23 C22 C25 C27 29.8(7) . . . . ?
O6 C24 C29 C30 -71.5(5) . . . . ?
C23 C24 C29 C30 108.5(5) . . . . ?
O6 C24 C29 C31 46.6(6) . . . . ?
C23 C24 C29 C31 -133.4(5) . . . . ?
O6 C24 C29 C32 167.1(5) . . . . ?
C23 C24 C29 C32 -12.9(7) . . . . ?
Sr2 O7 C33 C39 -94.1(4) . . . . ?
Sr3 O7 C33 C39 142.6(3) . . . . ?
Sr1 O7 C33 C39 30.3(5) . . . . ?
Sr2 O7 C33 C34 30.9(5) . . . . ?
Sr3 O7 C33 C34 -92.4(4) . . . . ?
Sr1 O7 C33 C34 155.3(3) . . . . ?
Sr2 O7 C33 C38 147.8(3) . . . . ?
Sr3 O7 C33 C38 24.5(4) . . . . ?
Sr1 O7 C33 C38 -87.8(4) . . . . ?
C35 N2 C34 C33 146.2(4) . . . . ?
C40 N2 C34 C33 -88.8(5) . . . . ?
Sr2 N2 C34 C33 49.1(4) . . . . ?
O7 C33 C34 N2 -56.9(5) . . . . ?
C39 C33 C34 N2 65.3(5) . . . . ?
C38 C33 C34 N2 -176.0(4) . . . . ?
C34 N2 C35 C36 -174.2(4) . . . . ?
C40 N2 C35 C36 62.5(5) . . . . ?
Sr2 N2 C35 C36 -71.6(4) . . . . ?
C37 O8 C36 C35 -171.8(4) . . . . ?
Sr2 O8 C36 C35 5.4(5) . . . . ?
N2 C35 C36 O8 52.1(5) . . . . ?
C34 N2 C40 C42 146.9(4) . . . . ?
C35 N2 C40 C42 -90.5(5) . . . . ?
Sr2 N2 C40 C42 23.7(6) . . . . ?
C34 N2 C40 C41 -81.3(5) . . . . ?
C35 N2 C40 C41 41.3(6) . . . . ?
Sr2 N2 C40 C41 155.5(3) . . . . ?
Sr2 O9 C43 C44 -111.8(5) . . . . ?
Sr3 O9 C43 C44 28.2(6) . . . . ?
Sr2 O9 C43 C46 73.5(5) . . . . ?
Sr3 O9 C43 C46 -146.5(3) . . . . ?
O9 C43 C44 C45 -5.8(8) . . . . ?
C46 C43 C44 C45 168.8(4) . . . . ?
Sr3 O10 C45 C44 -1.7(8) . . . . ?
Sr3 O10 C45 C50 178.4(3) . . . . ?
C43 C44 C45 O10 -9.5(8) . . . . ?
C43 C44 C45 C50 170.4(4) . . . . ?
O9 C43 C46 C49 -33.4(6) . . . . ?
C44 C43 C46 C49 151.4(4) . . . . ?
O9 C43 C46 C47 85.3(5) . . . . ?
C44 C43 C46 C47 -89.9(5) . . . . ?
O9 C43 C46 C48 -154.6(4) . . . . ?
C44 C43 C46 C48 30.2(6) . . . . ?
O10 C45 C50 C51 -56.4(5) . . . . ?
C44 C45 C50 C51 123.7(5) . . . . ?
O10 C45 C50 C53 62.1(5) . . . . ?
C44 C45 C50 C53 -117.8(5) . . . . ?
O10 C45 C50 C52 -177.5(4) . . . . ?
C44 C45 C50 C52 2.6(6) . . . . ?
Sr1 O11 C54 C60 -79.2(4) . . . . ?
Sr3 O11 C54 C60 116.3(3) . . . . ?
Sr1 O11 C54 C59 38.8(5) . . . . ?
Sr3 O11 C54 C59 -125.7(3) . . . . ?
Sr1 O11 C54 C55 154.5(3) . . . . ?
Sr3 O11 C54 C55 -10.0(5) . . . . ?
C56 N3 C55 C54 63.9(5) . . . . ?
C61 N3 C55 C54 -169.8(4) . . . . ?
Sr3 N3 C55 C54 -36.6(4) . . . . ?
O11 C54 C55 N3 32.6(5) . . . . ?
C60 C54 C55 N3 -92.0(5) . . . . ?
C59 C54 C55 N3 151.0(4) . . . . ?
C55 N3 C56 C57 177.6(4) . . . . ?
C61 N3 C56 C57 51.4(5) . . . . ?
Sr3 N3 C56 C57 -71.6(4) . . . . ?
C58 O12 C57 C56 -160.8(4) . . . . ?
Sr3 O12 C57 C56 -0.3(5) . . . . ?
N3 C56 C57 O12 55.7(5) . . . . ?
C56 N3 C61 C63 -176.1(4) . . . . ?
C55 N3 C61 C63 58.4(5) . . . . ?
Sr3 N3 C61 C63 -69.3(4) . . . . ?
C56 N3 C61 C62 56.6(5) . . . . ?
C55 N3 C61 C62 -68.8(5) . . . . ?
Sr3 N3 C61 C62 163.5(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C42 H42C O8 0.98 2.52 3.196(7) 125.9 .
C39 H39B O2 0.98 2.44 3.331(6) 151.0 .
C38 H38A O10 0.98 2.48 3.391(6) 154.3 .
C37 H37A O6 0.98 2.58 3.306(6) 130.4 .
C42 H42C O8 0.98 2.52 3.196(7) 125.9 .
C39 H39B O2 0.98 2.44 3.331(6) 151.0 .
C38 H38A O10 0.98 2.48 3.391(6) 154.3 .
C37 H37A O6 0.98 2.58 3.306(6) 130.4 .
C42 H42C O8 0.98 2.52 3.196(7) 125.9 .
C39 H39B O2 0.98 2.44 3.331(6) 151.0 .
C38 H38A O10 0.98 2.48 3.391(6) 154.3 .
C37 H37A O6 0.98 2.58 3.306(6) 130.4 .
C42 H42C O8 0.98 2.52 3.196(7) 125.9 .
C39 H39B O2 0.98 2.44 3.331(6) 151.0 .
C38 H38A O10 0.98 2.48 3.391(6) 154.3 .
C37 H37A O6 0.98 2.58 3.306(6) 130.4 .
C18 H18C O6 0.98 2.66 3.546(6) 150.5 .
C37 H37A O6 0.98 2.58 3.306(6) 130.4 .
C38 H38A O10 0.98 2.48 3.391(6) 154.3 .
C39 H39B O2 0.98 2.44 3.331(6) 151.0 .
C42 H42C O8 0.98 2.52 3.196(7) 125.9 .
C18 H18C O6 0.98 2.66 3.546(6) 150.5 .
C37 H37A O6 0.98 2.58 3.306(6) 130.4 .
C38 H38A O10 0.98 2.48 3.391(6) 154.3 .
C39 H39B O2 0.98 2.44 3.331(6) 151.0 .
C42 H42C O8 0.98 2.52 3.196(7) 125.9 .
C18 H18C O6 0.98 2.66 3.546(6) 150.5 .
C37 H37A O6 0.98 2.58 3.306(6) 130.4 .
C38 H38A O10 0.98 2.48 3.391(6) 154.3 .
C39 H39B O2 0.98 2.44 3.331(6) 151.0 .
C42 H42C O8 0.98 2.52 3.196(7) 125.9 .
C37 H37A O6 0.98 2.58 3.306(6) 130.4 .
C38 H38A O10 0.98 2.48 3.391(6) 154.3 .
C39 H39B O2 0.98 2.44 3.331(6) 151.0 .
C42 H42C O8 0.98 2.52 3.196(7) 125.9 .

_refine_diff_density_max         1.611
_refine_diff_density_min         -0.700
_refine_diff_density_rms         0.129


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane'
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Hygroscopic, Oxygen-sensitive'
####################################################################### 
# 
# 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_20140305lt_0m
_database_code_depnum_ccdc_archive 'CCDC 1034386'
_audit_update_record             
;
2014-11-17 deposited with the CCDC.
2015-06-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        '[Sr(memp)(tmhd)]3'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C57 H109 O15 Sr3'
_chemical_formula_weight         1297.30

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'
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           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.6143(5)
_cell_length_b                   16.2868(7)
_cell_length_c                   21.475(1)
_cell_angle_alpha                94.454(3)
_cell_angle_beta                 103.164(2)
_cell_angle_gamma                106.686(2)
_cell_volume                     3421.7(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    9973
_cell_measurement_theta_min      2.46
_cell_measurement_theta_max      25.93

_exptl_crystal_description       Block
_exptl_crystal_colour            silver
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1370
_exptl_absorpt_coefficient_mu    2.385
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7015
_exptl_absorpt_correction_T_max  0.8701
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(1)
_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       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16978
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0664
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         0.99
_diffrn_reflns_theta_max         28.33
_reflns_number_total             16978
_reflns_number_gt                12022
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0340P)²+3.6818P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         16978
_refine_ls_number_parameters     685
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0434
_refine_ls_wR_factor_ref         0.0961
_refine_ls_wR_factor_gt          0.0838
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.002
_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 0.12722(3) 0.831605(16) 0.379209(13) 0.01486(7) Uani 1 1 d . . .
Sr2 Sr 0.11114(3) 0.973866(16) 0.262186(13) 0.01612(7) Uani 1 1 d . . .
Sr3 Sr -0.03885(3) 0.715447(16) 0.217612(13) 0.01550(7) Uani 1 1 d . . .
O1 O -0.0091(2) 0.66861(12) 0.33025(10) 0.0212(5) Uani 1 1 d . . .
O2 O 0.2632(2) 0.73466(13) 0.41545(10) 0.0229(5) Uani 1 1 d . . .
O3 O 0.1946(2) 0.98660(12) 0.37731(10) 0.0237(5) Uani 1 1 d . . .
O4 O 0.2424(2) 0.93100(14) 0.49195(10) 0.0328(6) Uani 1 1 d . . .
O5 O 0.0245(2) 0.78773(14) 0.48055(10) 0.0289(5) Uani 1 1 d . . .
C1 C -0.0025(3) 0.59970(19) 0.35348(15) 0.0243(7) Uani 1 1 d . . .
C2 C 0.1152(4) 0.5904(2) 0.39246(16) 0.0297(8) Uani 1 1 d . . .
H2A H 0.1088 0.5343 0.4036 0.036 Uiso 1 1 calc R . .
C3 C 0.2426(4) 0.6548(2) 0.41724(14) 0.0248(7) Uani 1 1 d . . .
C4 C -0.1336(4) 0.5207(2) 0.33532(17) 0.0315(8) Uani 1 1 d . . .
C5 C -0.2540(4) 0.5426(2) 0.2946(2) 0.0424(10) Uani 1 1 d . . .
H5A H -0.2707 0.5899 0.3191 0.064 Uiso 1 1 calc R . .
H5B H -0.3353 0.4914 0.2839 0.064 Uiso 1 1 calc R . .
H5C H -0.2333 0.5607 0.2546 0.064 Uiso 1 1 calc R . .
C6 C -0.1102(4) 0.4460(2) 0.29587(19) 0.0394(9) Uani 1 1 d . . .
H6A H -0.0876 0.4648 0.2564 0.059 Uiso 1 1 calc R . .
H6B H -0.1933 0.3959 0.2842 0.059 Uiso 1 1 calc R . .
H6C H -0.0350 0.4298 0.3218 0.059 Uiso 1 1 calc R . .
C7 C -0.1699(5) 0.4900(2) 0.3967(2) 0.0552(12) Uani 1 1 d . . .
H7A H -0.1859 0.5369 0.4220 0.083 Uiso 1 1 calc R . .
H7B H -0.0945 0.4740 0.4227 0.083 Uiso 1 1 calc R . .
H7C H -0.2525 0.4396 0.3845 0.083 Uiso 1 1 calc R . .
C8 C 0.3692(4) 0.6296(2) 0.45015(17) 0.0346(9) Uani 1 1 d . . .
C9 C 0.3422(5) 0.5309(2) 0.4443(2) 0.0673(15) Uani 1 1 d . . .
H9A H 0.4257 0.5191 0.4658 0.101 Uiso 1 1 calc R . .
H9B H 0.3139 0.5055 0.3985 0.101 Uiso 1 1 calc R . .
H9C H 0.2698 0.5054 0.4650 0.101 Uiso 1 1 calc R . .
C10 C 0.4119(4) 0.6688(2) 0.52134(17) 0.0410(10) Uani 1 1 d . . .
H10A H 0.4307 0.7317 0.5252 0.061 Uiso 1 1 calc R . .
H10B H 0.4941 0.6559 0.5432 0.061 Uiso 1 1 calc R . .
H10C H 0.3382 0.6438 0.5414 0.061 Uiso 1 1 calc R . .
C11 C 0.4836(4) 0.6700(3) 0.41825(19) 0.0511(11) Uani 1 1 d . . .
H11A H 0.5008 0.7328 0.4221 0.077 Uiso 1 1 calc R . .
H11B H 0.4560 0.6448 0.3724 0.077 Uiso 1 1 calc R . .
H11C H 0.5668 0.6581 0.4399 0.077 Uiso 1 1 calc R . .
C12 C 0.2760(4) 1.0483(2) 0.43076(16) 0.0310(8) Uani 1 1 d . . .
C13 C 0.2413(4) 1.0178(2) 0.49138(16) 0.0342(9) Uani 1 1 d . . .
H13A H 0.3087 1.0556 0.5301 0.041 Uiso 1 1 calc R . .
H13B H 0.1500 1.0212 0.4923 0.041 Uiso 1 1 calc R . .
C14 C 0.2149(6) 0.9021(3) 0.54825(19) 0.097(2) Uani 1 1 d D . .
H14A H 0.1811 0.9440 0.5700 0.116 Uiso 1 1 calc R . .
H14B H 0.3012 0.9017 0.5778 0.116 Uiso 1 1 calc R . .
C15 C 0.1179(6) 0.8181(3) 0.5383(2) 0.104(3) Uani 1 1 d D . .
H15A H 0.1693 0.7762 0.5464 0.124 Uiso 1 1 calc R . .
H15B H 0.0677 0.8171 0.5720 0.124 Uiso 1 1 calc R . .
C16 C 0.2482(5) 1.1351(2) 0.4247(2) 0.0761(18) Uani 1 1 d . . .
H16A H 0.3277 1.1825 0.4505 0.114 Uiso 1 1 calc R . .
H16B H 0.1684 1.1348 0.4404 0.114 Uiso 1 1 calc R . .
H16C H 0.2308 1.1436 0.3792 0.114 Uiso 1 1 calc R . .
C17 C 0.4269(4) 1.0616(2) 0.43629(19) 0.0362(9) Uani 1 1 d . . .
H17A H 0.454(4) 1.080(2) 0.396(2) 0.054 Uiso 1 1 d . . .
H17B H 0.449(4) 1.006(3) 0.4407(18) 0.054 Uiso 1 1 d . . .
H17C H 0.486(4) 1.104(3) 0.473(2) 0.054 Uiso 1 1 d . . .
C18 C -0.0850(5) 0.7162(3) 0.4790(2) 0.088(2) Uani 1 1 d . . .
H18A H -0.1013 0.7154 0.5221 0.132 Uiso 1 1 calc R . .
H18B H -0.0651 0.6633 0.4660 0.132 Uiso 1 1 calc R . .
H18C H -0.1662 0.7192 0.4479 0.132 Uiso 1 1 calc R . .
O6 O 0.3312(2) 1.06787(12) 0.24867(10) 0.0231(5) Uani 1 1 d . . .
O7 O 0.1050(2) 1.12412(12) 0.25620(10) 0.0249(5) Uani 1 1 d . . .
O8 O -0.06257(19) 0.83927(12) 0.28841(9) 0.0157(4) Uani 1 1 d . . .
O9 O -0.1519(2) 0.93736(13) 0.20172(10) 0.0218(5) Uani 1 1 d . . .
O10 O 0.0388(2) 0.97806(13) 0.13145(10) 0.0257(5) Uani 1 1 d . . .
C19 C 0.3866(3) 1.14723(19) 0.24816(15) 0.0237(7) Uani 1 1 d . . .
C20 C 0.3224(3) 1.21136(19) 0.25257(15) 0.0266(7) Uani 1 1 d . . .
H20A H 0.3746 1.2694 0.2522 0.032 Uiso 1 1 calc R . .
C21 C 0.1892(3) 1.19745(19) 0.25738(14) 0.0244(7) Uani 1 1 d . . .
C22 C 0.5364(3) 1.1755(2) 0.24470(17) 0.0298(8) Uani 1 1 d . . .
C23 C 0.6263(4) 1.2241(3) 0.31083(19) 0.0506(11) Uani 1 1 d . . .
H23A H 0.6012 1.2758 0.3216 0.076 Uiso 1 1 calc R . .
H23B H 0.7221 1.2416 0.3097 0.076 Uiso 1 1 calc R . .
H23C H 0.6136 1.1862 0.3437 0.076 Uiso 1 1 calc R . .
C24 C 0.5574(4) 1.2340(3) 0.19334(19) 0.0510(11) Uani 1 1 d . . .
H24A H 0.5298 1.2850 0.2029 0.077 Uiso 1 1 calc R . .
H24B H 0.5020 1.2020 0.1507 0.077 Uiso 1 1 calc R . .
H24C H 0.6538 1.2526 0.1934 0.077 Uiso 1 1 calc R . .
C25 C 0.5796(4) 1.0960(3) 0.2295(3) 0.0675(15) Uani 1 1 d . . .
H25A H 0.6747 1.1147 0.2273 0.101 Uiso 1 1 calc R . .
H25B H 0.5212 1.0625 0.1878 0.101 Uiso 1 1 calc R . .
H25C H 0.5705 1.0597 0.2635 0.101 Uiso 1 1 calc R . .
C26 C 0.1336(4) 1.2753(2) 0.26574(16) 0.0306(8) Uani 1 1 d . . .
C27 C 0.1044(5) 1.2773(2) 0.33289(18) 0.0503(12) Uani 1 1 d . . .
H27A H 0.0689 1.3254 0.3407 0.076 Uiso 1 1 calc R . .
H27B H 0.1888 1.2853 0.3663 0.076 Uiso 1 1 calc R . .
H27C H 0.0368 1.2224 0.3344 0.076 Uiso 1 1 calc R . .
C28 C 0.0005(4) 1.2571(2) 0.21314(17) 0.0346(9) Uani 1 1 d . . .
H28A H -0.0364 1.3053 0.2176 0.052 Uiso 1 1 calc R . .
H28B H -0.0655 1.2033 0.2178 0.052 Uiso 1 1 calc R . .
H28C H 0.0181 1.2510 0.1704 0.052 Uiso 1 1 calc R . .
C29 C 0.2315(4) 1.3632(2) 0.26217(19) 0.0434(10) Uani 1 1 d . . .
H29A H 0.1892 1.4085 0.2679 0.065 Uiso 1 1 calc R . .
H29B H 0.2518 1.3619 0.2199 0.065 Uiso 1 1 calc R . .
H29C H 0.3161 1.3757 0.2964 0.065 Uiso 1 1 calc R . .
C30 C -0.1839(3) 0.85712(19) 0.28967(14) 0.0193(6) Uani 1 1 d . . .
C31 C -0.2499(3) 0.87148(19) 0.22200(15) 0.0227(7) Uani 1 1 d . . .
H31A H -0.2799 0.8168 0.1913 0.027 Uiso 1 1 calc R . .
H31B H -0.3308 0.8899 0.2228 0.027 Uiso 1 1 calc R . .
C32 C -0.1931(3) 0.9392(2) 0.13381(15) 0.0285(8) Uani 1 1 d . . .
H32A H -0.2776 0.9554 0.1231 0.034 Uiso 1 1 calc R . .
H32B H -0.2111 0.8812 0.1093 0.034 Uiso 1 1 calc R . .
C33 C -0.0803(4) 1.0046(2) 0.11617(16) 0.0299(8) Uani 1 1 d . . .
H33A H -0.1064 1.0080 0.0694 0.036 Uiso 1 1 calc R . .
H33B H -0.0623 1.0626 0.1407 0.036 Uiso 1 1 calc R . .
C34 C -0.1557(3) 0.9383(2) 0.33908(16) 0.0273(7) Uani 1 1 d . . .
H34A H -0.2290 0.9295 0.3610 0.041 Uiso 1 1 calc R . .
H34B H -0.1515 0.9887 0.3166 0.041 Uiso 1 1 calc R . .
H34C H -0.0686 0.9483 0.3711 0.041 Uiso 1 1 calc R . .
C35 C -0.2838(3) 0.7800(2) 0.30758(16) 0.0280(8) Uani 1 1 d . . .
H35A H -0.3706 0.7913 0.3048 0.042 Uiso 1 1 calc R . .
H35B H -0.2457 0.7718 0.3518 0.042 Uiso 1 1 calc R . .
H35C H -0.2990 0.7275 0.2776 0.042 Uiso 1 1 calc R . .
C36 C 0.1431(4) 1.0294(2) 0.10611(16) 0.0317(8) Uani 1 1 d . . .
H36A H 0.1076 1.0268 0.0594 0.048 Uiso 1 1 calc R . .
H36B H 0.2207 1.0069 0.1140 0.048 Uiso 1 1 calc R . .
H36C H 0.1726 1.0897 0.1275 0.048 Uiso 1 1 calc R . .
O11 O -0.0720(2) 0.72667(13) 0.10274(10) 0.0240(5) Uani 1 1 d . . .
O12 O -0.2852(2) 0.66073(13) 0.16038(10) 0.0234(5) Uani 1 1 d . . .
O13 O 0.17752(19) 0.83557(12) 0.26820(9) 0.0159(4) Uani 1 1 d . . .
O14 O 0.1885(2) 0.67820(12) 0.21546(9) 0.0193(4) Uani 1 1 d . . .
O15 O -0.0551(2) 0.55124(13) 0.17012(10) 0.0266(5) Uani 1 1 d . . .
C37 C -0.1680(3) 0.70889(18) 0.05199(15) 0.0212(7) Uani 1 1 d . . .
C38 C -0.3066(3) 0.67296(19) 0.04993(15) 0.0227(7) Uani 1 1 d . . .
H38A H -0.3708 0.6625 0.0090 0.027 Uiso 1 1 calc R . .
C39 C -0.3579(3) 0.65128(19) 0.10307(15) 0.0223(7) Uani 1 1 d . . .
C40 C -0.1255(3) 0.72492(19) -0.01129(15) 0.0244(7) Uani 1 1 d . . .
C41 C -0.0146(4) 0.8135(2) 0.00210(16) 0.0306(8) Uani 1 1 d . . .
H41A H 0.0143 0.8254 -0.0374 0.046 Uiso 1 1 calc R . .
H41B H 0.0637 0.8130 0.0364 0.046 Uiso 1 1 calc R . .
H41C H -0.0509 0.8588 0.0158 0.046 Uiso 1 1 calc R . .
C42 C -0.2417(4) 0.7241(2) -0.06863(16) 0.0390(9) Uani 1 1 d . . .
H42A H -0.2067 0.7345 -0.1068 0.059 Uiso 1 1 calc R . .
H42B H -0.2802 0.7698 -0.0582 0.059 Uiso 1 1 calc R . .
H42C H -0.3127 0.6676 -0.0778 0.059 Uiso 1 1 calc R . .
C43 C -0.0647(4) 0.6535(2) -0.02742(17) 0.0389(10) Uani 1 1 d . . .
H43A H -0.0365 0.6611 -0.0675 0.058 Uiso 1 1 calc R . .
H43B H -0.1335 0.5966 -0.0330 0.058 Uiso 1 1 calc R . .
H43C H 0.0145 0.6573 0.0080 0.058 Uiso 1 1 calc R . .
C44 C -0.5132(3) 0.6146(2) 0.09504(16) 0.0278(8) Uani 1 1 d . . .
C45 C -0.5411(4) 0.5372(2) 0.13143(19) 0.0397(9) Uani 1 1 d . . .
H45A H -0.6393 0.5132 0.1265 0.060 Uiso 1 1 calc R . .
H45B H -0.4938 0.5561 0.1774 0.060 Uiso 1 1 calc R . .
H45C H -0.5080 0.4926 0.1137 0.060 Uiso 1 1 calc R . .
C46 C -0.5996(3) 0.5867(2) 0.02459(17) 0.0399(10) Uani 1 1 d . . .
H46A H -0.6962 0.5641 0.0238 0.060 Uiso 1 1 calc R . .
H46B H -0.5726 0.5413 0.0035 0.060 Uiso 1 1 calc R . .
H46C H -0.5852 0.6368 0.0015 0.060 Uiso 1 1 calc R . .
C47 C -0.5549(3) 0.6876(2) 0.12592(17) 0.0315(8) Uani 1 1 d . . .
H47A H -0.6531 0.6674 0.1220 0.047 Uiso 1 1 calc R . .
H47B H -0.5330 0.7381 0.1037 0.047 Uiso 1 1 calc R . .
H47C H -0.5053 0.7039 0.1718 0.047 Uiso 1 1 calc R . .
C48 C 0.3009(3) 0.82975(18) 0.25705(14) 0.0169(6) Uani 1 1 d . . .
C49 C 0.3053(3) 0.73775(18) 0.26142(14) 0.0199(6) Uani 1 1 d . . .
H49A H 0.3897 0.7319 0.2521 0.024 Uiso 1 1 calc R . .
H49B H 0.3051 0.7247 0.3057 0.024 Uiso 1 1 calc R . .
C50 C 0.1812(3) 0.59006(18) 0.21912(15) 0.0240(7) Uani 1 1 d . . .
H50A H 0.1637 0.5744 0.2607 0.029 Uiso 1 1 calc R . .
H50B H 0.2681 0.5810 0.2162 0.029 Uiso 1 1 calc R . .
C51 C 0.0672(3) 0.5357(2) 0.16376(16) 0.0277(8) Uani 1 1 d . . .
H51A H 0.0855 0.5512 0.1223 0.033 Uiso 1 1 calc R . .
H51B H 0.0583 0.4736 0.1642 0.033 Uiso 1 1 calc R . .
C52 C 0.4220(3) 0.89079(19) 0.30909(16) 0.0252(7) Uani 1 1 d . . .
H52A H 0.4150 0.8758 0.3518 0.038 Uiso 1 1 calc R . .
H52B H 0.4218 0.9507 0.3075 0.038 Uiso 1 1 calc R . .
H52C H 0.5069 0.8851 0.3014 0.038 Uiso 1 1 calc R . .
C53 C 0.3100(3) 0.8525(2) 0.18988(15) 0.0235(7) Uani 1 1 d . . .
H53A H 0.2318 0.8130 0.1569 0.035 Uiso 1 1 calc R . .
H53B H 0.3945 0.8468 0.1818 0.035 Uiso 1 1 calc R . .
H53C H 0.3094 0.9124 0.1880 0.035 Uiso 1 1 calc R . .
C54 C -0.1684(4) 0.5010(2) 0.11858(19) 0.0434(10) Uani 1 1 d . . .
H54A H -0.1583 0.4441 0.1075 0.065 Uiso 1 1 calc R . .
H54B H -0.1721 0.5309 0.0807 0.065 Uiso 1 1 calc R . .
H54C H -0.2527 0.4933 0.1321 0.065 Uiso 1 1 calc R . .
C55 C 0.3227(6) 0.7995(3) 0.9679(3) 0.0797(17) Uani 1 1 d . . .
H55A H 0.2538 0.7636 0.9865 0.119 Uiso 1 1 calc R . .
H55B H 0.3988 0.7759 0.9720 0.119 Uiso 1 1 calc R . .
H55C H 0.2822 0.7995 0.9221 0.119 Uiso 1 1 calc R . .
C56 C 0.3737(6) 0.8907(4) 1.0035(4) 0.116(3) Uani 1 1 d . . .
H56A H 0.2942 0.9122 0.9994 0.139 Uiso 1 1 calc R . .
H56B H 0.4084 0.8882 1.0499 0.139 Uiso 1 1 calc R . .
C57 C 0.4770(5) 0.9542(3) 0.9851(3) 0.0661(14) Uani 1 1 d . . .
H57A H 0.4450 0.9526 0.9378 0.079 Uiso 1 1 calc R . .
H57B H 0.5584 0.9345 0.9925 0.079 Uiso 1 1 calc R . .


_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 O3 2.4244(19) . ?
Sr1 O2 2.484(2) . ?
Sr1 O8 2.504(2) . ?
Sr1 O13 2.5606(18) . ?
Sr1 O4 2.624(2) . ?
Sr1 O1 2.6295(19) . ?
Sr1 O5 2.704(2) . ?
Sr1 C12 3.402(3) . ?
Sr1 Sr2 3.5566(4) . ?
Sr1 Sr3 3.6067(4) . ?
Sr2 O3 2.399(2) . ?
Sr2 O7 2.479(2) . ?
Sr2 O6 2.492(2) . ?
Sr2 O13 2.5498(19) . ?
Sr2 O8 2.6202(18) . ?
Sr2 O9 2.667(2) . ?
Sr2 O10 2.749(2) . ?
Sr2 C30 3.372(3) . ?
Sr2 Sr3 3.9997(4) . ?
Sr3 O11 2.440(2) . ?
Sr3 O12 2.484(2) . ?
Sr3 O13 2.4971(19) . ?
Sr3 O8 2.5361(18) . ?
Sr3 O1 2.571(2) . ?
Sr3 O14 2.661(2) . ?
Sr3 O15 2.730(2) . ?
O1 C1 1.277(3) . ?
O2 C3 1.261(3) . ?
O3 C12 1.395(4) . ?
O4 C14 1.392(4) . ?
O4 C13 1.419(4) . ?
O5 C15 1.353(5) . ?
O5 C18 1.381(4) . ?
C1 C2 1.391(5) . ?
C1 C4 1.546(4) . ?
C2 C3 1.408(5) . ?
C2 H2A 0.9500 . ?
C3 C8 1.549(5) . ?
C4 C5 1.526(5) . ?
C4 C7 1.536(5) . ?
C4 C6 1.539(4) . ?
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 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C10 1.522(5) . ?
C8 C11 1.538(5) . ?
C8 C9 1.539(5) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.514(5) . ?
C12 C17 1.529(5) . ?
C12 C16 1.534(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.423(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 1.01(4) . ?
C17 H17B 1.01(4) . ?
C17 H17C 0.97(4) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
O6 C19 1.259(3) . ?
O7 C21 1.264(4) . ?
O8 C30 1.405(3) . ?
O9 C32 1.429(4) . ?
O9 C31 1.436(3) . ?
O10 C36 1.426(4) . ?
O10 C33 1.427(4) . ?
C19 C20 1.410(4) . ?
C19 C22 1.545(4) . ?
C20 C21 1.395(5) . ?
C20 H20A 0.9500 . ?
C21 C26 1.558(4) . ?
C22 C24 1.525(5) . ?
C22 C23 1.526(5) . ?
C22 C25 1.530(5) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C29 1.528(5) . ?
C26 C28 1.530(5) . ?
C26 C27 1.543(5) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.530(4) . ?
C30 C35 1.531(4) . ?
C30 C34 1.541(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.499(4) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
O11 C37 1.259(4) . ?
O12 C39 1.266(4) . ?
O13 C48 1.411(3) . ?
O14 C50 1.425(3) . ?
O14 C49 1.434(4) . ?
O15 C54 1.424(4) . ?
O15 C51 1.426(4) . ?
C37 C38 1.407(4) . ?
C37 C40 1.544(4) . ?
C38 C39 1.399(4) . ?
C38 H38A 0.9500 . ?
C39 C44 1.547(4) . ?
C40 C42 1.528(5) . ?
C40 C41 1.535(4) . ?
C40 C43 1.536(5) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.527(5) . ?
C44 C46 1.536(5) . ?
C44 C47 1.538(4) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 C49 1.522(4) . ?
C48 C52 1.526(4) . ?
C48 C53 1.534(4) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.492(5) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.502(8) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 C57 1.427(7) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 C57 1.470(9) 2_677 ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?

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
O3 Sr1 O2 131.35(7) . . ?
O3 Sr1 O8 79.84(7) . . ?
O2 Sr1 O8 141.04(6) . . ?
O3 Sr1 O13 79.78(6) . . ?
O2 Sr1 O13 95.22(6) . . ?
O8 Sr1 O13 64.35(6) . . ?
O3 Sr1 O4 63.97(7) . . ?
O2 Sr1 O4 88.58(7) . . ?
O8 Sr1 O4 129.89(7) . . ?
O13 Sr1 O4 133.55(6) . . ?
O3 Sr1 O1 154.28(7) . . ?
O2 Sr1 O1 68.80(7) . . ?
O8 Sr1 O1 75.63(6) . . ?
O13 Sr1 O1 82.73(6) . . ?
O4 Sr1 O1 140.01(6) . . ?
O3 Sr1 O5 112.69(7) . . ?
O2 Sr1 O5 82.83(7) . . ?
O8 Sr1 O5 108.31(7) . . ?
O13 Sr1 O5 164.98(6) . . ?
O4 Sr1 O5 61.42(6) . . ?
O1 Sr1 O5 82.68(6) . . ?
O3 Sr1 C12 19.95(7) . . ?
O2 Sr1 C12 117.48(8) . . ?
O8 Sr1 C12 97.98(7) . . ?
O13 Sr1 C12 95.05(7) . . ?
O4 Sr1 C12 44.47(7) . . ?
O1 Sr1 C12 173.58(7) . . ?
O5 Sr1 C12 99.07(8) . . ?
O3 Sr1 Sr2 42.23(5) . . ?
O2 Sr1 Sr2 137.27(5) . . ?
O8 Sr1 Sr2 47.41(4) . . ?
O13 Sr1 Sr2 45.77(4) . . ?
O4 Sr1 Sr2 106.19(5) . . ?
O1 Sr1 Sr2 112.82(4) . . ?
O5 Sr1 Sr2 139.57(5) . . ?
C12 Sr1 Sr2 61.97(6) . . ?
O3 Sr1 Sr3 110.10(5) . . ?
O2 Sr1 Sr3 97.25(5) . . ?
O8 Sr1 Sr3 44.66(4) . . ?
O13 Sr1 Sr3 43.81(4) . . ?
O4 Sr1 Sr3 173.72(5) . . ?
O1 Sr1 Sr3 45.42(4) . . ?
O5 Sr1 Sr3 121.49(5) . . ?
C12 Sr1 Sr3 129.79(6) . . ?
Sr2 Sr1 Sr3 67.880(8) . . ?
O3 Sr2 O7 98.62(7) . . ?
O3 Sr2 O6 93.90(7) . . ?
O7 Sr2 O6 69.61(7) . . ?
O3 Sr2 O13 80.46(6) . . ?
O7 Sr2 O13 166.11(7) . . ?
O6 Sr2 O13 96.58(6) . . ?
O3 Sr2 O8 77.98(6) . . ?
O7 Sr2 O8 130.70(6) . . ?
O6 Sr2 O8 158.72(6) . . ?
O13 Sr2 O8 62.87(6) . . ?
O3 Sr2 O9 123.37(7) . . ?
O7 Sr2 O9 81.43(7) . . ?
O6 Sr2 O9 136.03(7) . . ?
O13 Sr2 O9 110.78(6) . . ?
O8 Sr2 O9 62.13(6) . . ?
O3 Sr2 O10 173.16(7) . . ?
O7 Sr2 O10 76.51(7) . . ?
O6 Sr2 O10 79.95(7) . . ?
O13 Sr2 O10 103.08(6) . . ?
O8 Sr2 O10 108.82(6) . . ?
O9 Sr2 O10 61.14(6) . . ?
O3 Sr2 C30 83.17(7) . . ?
O7 Sr2 C30 107.92(7) . . ?
O6 Sr2 C30 175.90(7) . . ?
O13 Sr2 C30 85.79(6) . . ?
O8 Sr2 C30 23.04(6) . . ?
O9 Sr2 C30 45.21(7) . . ?
O10 Sr2 C30 102.82(7) . . ?
O3 Sr2 Sr1 42.77(5) . . ?
O7 Sr2 Sr1 138.72(5) . . ?
O6 Sr2 Sr1 117.38(5) . . ?
O13 Sr2 Sr1 46.02(4) . . ?
O8 Sr2 Sr1 44.71(4) . . ?
O9 Sr2 Sr1 106.29(4) . . ?
O10 Sr2 Sr1 143.21(4) . . ?
C30 Sr2 Sr1 62.10(5) . . ?
O3 Sr2 Sr3 99.42(5) . . ?
O7 Sr2 Sr3 154.55(5) . . ?
O6 Sr2 Sr3 126.58(5) . . ?
O13 Sr2 Sr3 37.12(4) . . ?
O8 Sr2 Sr3 38.38(4) . . ?
O9 Sr2 Sr3 73.68(4) . . ?
O10 Sr2 Sr3 86.73(4) . . ?
C30 Sr2 Sr3 56.96(5) . . ?
Sr1 Sr2 Sr3 56.656(7) . . ?
O11 Sr3 O12 69.57(7) . . ?
O11 Sr3 O13 102.48(6) . . ?
O12 Sr3 O13 151.99(7) . . ?
O11 Sr3 O8 116.19(7) . . ?
O12 Sr3 O8 93.87(6) . . ?
O13 Sr3 O8 64.80(6) . . ?
O11 Sr3 O1 167.33(7) . . ?
O12 Sr3 O1 108.12(7) . . ?
O13 Sr3 O1 85.18(6) . . ?
O8 Sr3 O1 76.13(6) . . ?
O11 Sr3 O14 88.21(7) . . ?
O12 Sr3 O14 138.67(6) . . ?
O13 Sr3 O14 64.75(6) . . ?
O8 Sr3 O14 127.44(6) . . ?
O1 Sr3 O14 85.98(6) . . ?
O11 Sr3 O15 80.06(7) . . ?
O12 Sr3 O15 81.04(7) . . ?
O13 Sr3 O15 125.10(6) . . ?
O8 Sr3 O15 160.26(6) . . ?
O1 Sr3 O15 87.28(6) . . ?
O14 Sr3 O15 60.51(6) . . ?
O11 Sr3 Sr1 144.39(5) . . ?
O12 Sr3 Sr1 129.58(4) . . ?
O13 Sr3 Sr1 45.22(4) . . ?
O8 Sr3 Sr1 43.95(4) . . ?
O1 Sr3 Sr1 46.76(4) . . ?
O14 Sr3 Sr1 88.67(4) . . ?
O15 Sr3 Sr1 127.83(5) . . ?
O11 Sr3 Sr2 90.28(5) . . ?
O12 Sr3 Sr2 113.99(5) . . ?
O13 Sr3 Sr2 38.04(4) . . ?
O8 Sr3 Sr2 39.90(4) . . ?
O1 Sr3 Sr2 101.81(4) . . ?
O14 Sr3 Sr2 99.98(4) . . ?
O15 Sr3 Sr2 158.18(5) . . ?
Sr1 Sr3 Sr2 55.464(7) . . ?
C1 O1 Sr3 136.16(18) . . ?
C1 O1 Sr1 129.4(2) . . ?
Sr3 O1 Sr1 87.81(6) . . ?
C3 O2 Sr1 137.7(2) . . ?
C12 O3 Sr2 140.29(19) . . ?
C12 O3 Sr1 123.69(18) . . ?
Sr2 O3 Sr1 95.00(7) . . ?
C14 O4 C13 110.5(3) . . ?
C14 O4 Sr1 120.8(2) . . ?
C13 O4 Sr1 113.78(18) . . ?
C15 O5 C18 116.1(3) . . ?
C15 O5 Sr1 112.9(2) . . ?
C18 O5 Sr1 125.8(2) . . ?
O1 C1 C2 124.5(3) . . ?
O1 C1 C4 117.4(3) . . ?
C2 C1 C4 118.1(3) . . ?
C1 C2 C3 127.3(3) . . ?
C1 C2 H2A 116.3 . . ?
C3 C2 H2A 116.3 . . ?
O2 C3 C2 124.4(3) . . ?
O2 C3 C8 115.4(3) . . ?
C2 C3 C8 120.2(3) . . ?
C5 C4 C7 108.5(3) . . ?
C5 C4 C6 108.3(3) . . ?
C7 C4 C6 108.8(3) . . ?
C5 C4 C1 111.5(3) . . ?
C7 C4 C1 110.3(3) . . ?
C6 C4 C1 109.4(3) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C10 C8 C11 109.5(3) . . ?
C10 C8 C9 109.3(3) . . ?
C11 C8 C9 109.6(3) . . ?
C10 C8 C3 107.5(3) . . ?
C11 C8 C3 107.7(3) . . ?
C9 C8 C3 113.2(3) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O3 C12 C13 109.0(3) . . ?
O3 C12 C17 110.7(3) . . ?
C13 C12 C17 109.6(3) . . ?
O3 C12 C16 110.1(3) . . ?
C13 C12 C16 108.2(3) . . ?
C17 C12 C16 109.2(3) . . ?
O3 C12 Sr1 36.37(13) . . ?
C13 C12 Sr1 78.98(18) . . ?
C17 C12 Sr1 103.4(2) . . ?
C16 C12 Sr1 141.3(2) . . ?
O4 C13 C12 109.2(2) . . ?
O4 C13 H13A 109.8 . . ?
C12 C13 H13A 109.8 . . ?
O4 C13 H13B 109.8 . . ?
C12 C13 H13B 109.8 . . ?
H13A C13 H13B 108.3 . . ?
O4 C14 C15 114.5(3) . . ?
O4 C14 H14A 108.6 . . ?
C15 C14 H14A 108.6 . . ?
O4 C14 H14B 108.6 . . ?
C15 C14 H14B 108.6 . . ?
H14A C14 H14B 107.6 . . ?
O5 C15 C14 119.5(4) . . ?
O5 C15 H15A 107.5 . . ?
C14 C15 H15A 107.5 . . ?
O5 C15 H15B 107.5 . . ?
C14 C15 H15B 107.5 . . ?
H15A C15 H15B 107.0 . . ?
C12 C16 H16A 109.5 . . ?
C12 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C12 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 112(2) . . ?
C12 C17 H17B 111(2) . . ?
H17A C17 H17B 105(3) . . ?
C12 C17 H17C 112(2) . . ?
H17A C17 H17C 109(3) . . ?
H17B C17 H17C 107(3) . . ?
O5 C18 H18A 109.5 . . ?
O5 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
O5 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C19 O6 Sr2 137.3(2) . . ?
C21 O7 Sr2 136.9(2) . . ?
C30 O8 Sr1 130.33(16) . . ?
C30 O8 Sr3 126.66(17) . . ?
Sr1 O8 Sr3 91.39(6) . . ?
C30 O8 Sr2 110.09(16) . . ?
Sr1 O8 Sr2 87.88(6) . . ?
Sr3 O8 Sr2 101.72(6) . . ?
C32 O9 C31 111.8(2) . . ?
C32 O9 Sr2 120.33(17) . . ?
C31 O9 Sr2 118.40(17) . . ?
C36 O10 C33 111.0(2) . . ?
C36 O10 Sr2 115.62(18) . . ?
C33 O10 Sr2 108.91(17) . . ?
O6 C19 C20 124.4(3) . . ?
O6 C19 C22 117.1(3) . . ?
C20 C19 C22 118.5(3) . . ?
C21 C20 C19 126.0(3) . . ?
C21 C20 H20A 117.0 . . ?
C19 C20 H20A 117.0 . . ?
O7 C21 C20 125.0(3) . . ?
O7 C21 C26 114.4(3) . . ?
C20 C21 C26 120.6(3) . . ?
C24 C22 C23 109.6(3) . . ?
C24 C22 C25 109.3(3) . . ?
C23 C22 C25 107.8(4) . . ?
C24 C22 C19 111.4(3) . . ?
C23 C22 C19 108.4(3) . . ?
C25 C22 C19 110.2(3) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C29 C26 C28 109.2(3) . . ?
C29 C26 C27 109.2(3) . . ?
C28 C26 C27 109.6(3) . . ?
C29 C26 C21 114.5(3) . . ?
C28 C26 C21 108.1(3) . . ?
C27 C26 C21 106.1(3) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O8 C30 C31 108.6(2) . . ?
O8 C30 C35 110.3(2) . . ?
C31 C30 C35 108.2(3) . . ?
O8 C30 C34 110.9(2) . . ?
C31 C30 C34 109.8(3) . . ?
C35 C30 C34 108.9(2) . . ?
O8 C30 Sr2 46.87(12) . . ?
C31 C30 Sr2 85.02(16) . . ?
C35 C30 Sr2 157.1(2) . . ?
C34 C30 Sr2 82.68(17) . . ?
O9 C31 C30 108.7(2) . . ?
O9 C31 H31A 109.9 . . ?
C30 C31 H31A 109.9 . . ?
O9 C31 H31B 109.9 . . ?
C30 C31 H31B 109.9 . . ?
H31A C31 H31B 108.3 . . ?
O9 C32 C33 108.1(3) . . ?
O9 C32 H32A 110.1 . . ?
C33 C32 H32A 110.1 . . ?
O9 C32 H32B 110.1 . . ?
C33 C32 H32B 110.1 . . ?
H32A C32 H32B 108.4 . . ?
O10 C33 C32 108.3(3) . . ?
O10 C33 H33A 110.0 . . ?
C32 C33 H33A 110.0 . . ?
O10 C33 H33B 110.0 . . ?
C32 C33 H33B 110.0 . . ?
H33A C33 H33B 108.4 . . ?
C30 C34 H34A 109.5 . . ?
C30 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C30 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C30 C35 H35A 109.5 . . ?
C30 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C30 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
O10 C36 H36A 109.5 . . ?
O10 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
O10 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C37 O11 Sr3 139.00(19) . . ?
C39 O12 Sr3 137.14(19) . . ?
C48 O13 Sr3 119.48(15) . . ?
C48 O13 Sr2 122.45(15) . . ?
Sr3 O13 Sr2 104.83(7) . . ?
C48 O13 Sr1 123.18(16) . . ?
Sr3 O13 Sr1 90.97(6) . . ?
Sr2 O13 Sr1 88.20(6) . . ?
C50 O14 C49 112.4(2) . . ?
C50 O14 Sr3 115.25(17) . . ?
C49 O14 Sr3 111.88(15) . . ?
C54 O15 C51 110.9(2) . . ?
C54 O15 Sr3 120.0(2) . . ?
C51 O15 Sr3 117.94(17) . . ?
O11 C37 C38 124.2(3) . . ?
O11 C37 C40 115.8(3) . . ?
C38 C37 C40 119.9(3) . . ?
C39 C38 C37 125.5(3) . . ?
C39 C38 H38A 117.3 . . ?
C37 C38 H38A 117.3 . . ?
O12 C39 C38 124.5(3) . . ?
O12 C39 C44 114.7(3) . . ?
C38 C39 C44 120.7(3) . . ?
C42 C40 C41 108.9(3) . . ?
C42 C40 C43 109.7(3) . . ?
C41 C40 C43 109.3(3) . . ?
C42 C40 C37 114.4(3) . . ?
C41 C40 C37 107.8(2) . . ?
C43 C40 C37 106.7(3) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C46 109.1(3) . . ?
C45 C44 C47 109.8(3) . . ?
C46 C44 C47 108.1(3) . . ?
C45 C44 C39 108.8(3) . . ?
C46 C44 C39 114.7(3) . . ?
C47 C44 C39 106.3(2) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O13 C48 C49 108.8(2) . . ?
O13 C48 C52 110.3(2) . . ?
C49 C48 C52 107.6(2) . . ?
O13 C48 C53 109.7(2) . . ?
C49 C48 C53 110.3(2) . . ?
C52 C48 C53 110.2(2) . . ?
O14 C49 C48 109.1(2) . . ?
O14 C49 H49A 109.9 . . ?
C48 C49 H49A 109.9 . . ?
O14 C49 H49B 109.9 . . ?
C48 C49 H49B 109.9 . . ?
H49A C49 H49B 108.3 . . ?
O14 C50 C51 107.1(3) . . ?
O14 C50 H50A 110.3 . . ?
C51 C50 H50A 110.3 . . ?
O14 C50 H50B 110.3 . . ?
C51 C50 H50B 110.3 . . ?
H50A C50 H50B 108.5 . . ?
O15 C51 C50 108.1(2) . . ?
O15 C51 H51A 110.1 . . ?
C50 C51 H51A 110.1 . . ?
O15 C51 H51B 110.1 . . ?
C50 C51 H51B 110.1 . . ?
H51A C51 H51B 108.4 . . ?
C48 C52 H52A 109.5 . . ?
C48 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C48 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C53 H53A 109.5 . . ?
C48 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C48 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
O15 C54 H54A 109.5 . . ?
O15 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
O15 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 H55A 109.5 . . ?
C56 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C56 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C57 C56 C55 119.1(5) . . ?
C57 C56 H56A 107.5 . . ?
C55 C56 H56A 107.5 . . ?
C57 C56 H56B 107.5 . . ?
C55 C56 H56B 107.5 . . ?
H56A C56 H56B 107.0 . . ?
C56 C57 C57 121.3(6) . 2_677 ?
C56 C57 H57A 107.0 . . ?
C57 C57 H57A 107.0 2_677 . ?
C56 C57 H57B 107.0 . . ?
C57 C57 H57B 107.0 2_677 . ?
H57A C57 H57B 106.7 . . ?

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
O2 Sr1 Sr2 O3 -104.83(11) . . . . ?
O8 Sr1 Sr2 O3 131.01(10) . . . . ?
O13 Sr1 Sr2 O3 -134.74(10) . . . . ?
O4 Sr1 Sr2 O3 1.21(10) . . . . ?
O1 Sr1 Sr2 O3 172.21(9) . . . . ?
O5 Sr1 Sr2 O3 65.91(11) . . . . ?
C12 Sr1 Sr2 O3 -3.64(11) . . . . ?
Sr3 Sr1 Sr2 O3 179.01(8) . . . . ?
O3 Sr1 Sr2 O7 -26.28(11) . . . . ?
O2 Sr1 Sr2 O7 -131.11(11) . . . . ?
O8 Sr1 Sr2 O7 104.73(10) . . . . ?
O13 Sr1 Sr2 O7 -161.02(10) . . . . ?
O4 Sr1 Sr2 O7 -25.08(10) . . . . ?
O1 Sr1 Sr2 O7 145.93(9) . . . . ?
O5 Sr1 Sr2 O7 39.62(11) . . . . ?
C12 Sr1 Sr2 O7 -29.92(11) . . . . ?
Sr3 Sr1 Sr2 O7 152.72(8) . . . . ?
O3 Sr1 Sr2 O6 63.44(9) . . . . ?
O2 Sr1 Sr2 O6 -41.39(9) . . . . ?
O8 Sr1 Sr2 O6 -165.55(8) . . . . ?
O13 Sr1 Sr2 O6 -71.30(8) . . . . ?
O4 Sr1 Sr2 O6 64.64(8) . . . . ?
O1 Sr1 Sr2 O6 -124.35(7) . . . . ?
O5 Sr1 Sr2 O6 129.34(9) . . . . ?
C12 Sr1 Sr2 O6 59.80(9) . . . . ?
Sr3 Sr1 Sr2 O6 -117.56(5) . . . . ?
O3 Sr1 Sr2 O13 134.74(10) . . . . ?
O2 Sr1 Sr2 O13 29.91(9) . . . . ?
O8 Sr1 Sr2 O13 -94.25(8) . . . . ?
O4 Sr1 Sr2 O13 135.94(8) . . . . ?
O1 Sr1 Sr2 O13 -53.05(8) . . . . ?
O5 Sr1 Sr2 O13 -159.35(9) . . . . ?
C12 Sr1 Sr2 O13 131.10(9) . . . . ?
Sr3 Sr1 Sr2 O13 -46.25(6) . . . . ?
O3 Sr1 Sr2 O8 -131.01(10) . . . . ?
O2 Sr1 Sr2 O8 124.16(9) . . . . ?
O13 Sr1 Sr2 O8 94.25(8) . . . . ?
O4 Sr1 Sr2 O8 -129.81(8) . . . . ?
O1 Sr1 Sr2 O8 41.20(7) . . . . ?
O5 Sr1 Sr2 O8 -65.11(9) . . . . ?
C12 Sr1 Sr2 O8 -134.65(9) . . . . ?
Sr3 Sr1 Sr2 O8 47.99(6) . . . . ?
O3 Sr1 Sr2 O9 -121.87(9) . . . . ?
O2 Sr1 Sr2 O9 133.30(8) . . . . ?
O8 Sr1 Sr2 O9 9.14(7) . . . . ?
O13 Sr1 Sr2 O9 103.39(8) . . . . ?
O4 Sr1 Sr2 O9 -120.67(7) . . . . ?
O1 Sr1 Sr2 O9 50.34(7) . . . . ?
O5 Sr1 Sr2 O9 -55.96(8) . . . . ?
C12 Sr1 Sr2 O9 -125.51(8) . . . . ?
Sr3 Sr1 Sr2 O9 57.14(5) . . . . ?
O3 Sr1 Sr2 O10 174.82(11) . . . . ?
O2 Sr1 Sr2 O10 69.99(11) . . . . ?
O8 Sr1 Sr2 O10 -54.17(10) . . . . ?
O13 Sr1 Sr2 O10 40.08(10) . . . . ?
O4 Sr1 Sr2 O10 176.02(10) . . . . ?
O1 Sr1 Sr2 O10 -12.97(9) . . . . ?
O5 Sr1 Sr2 O10 -119.27(11) . . . . ?
C12 Sr1 Sr2 O10 171.18(11) . . . . ?
Sr3 Sr1 Sr2 O10 -6.17(8) . . . . ?
O3 Sr1 Sr2 C30 -111.97(10) . . . . ?
O2 Sr1 Sr2 C30 143.20(9) . . . . ?
O8 Sr1 Sr2 C30 19.04(8) . . . . ?
O13 Sr1 Sr2 C30 113.29(8) . . . . ?
O4 Sr1 Sr2 C30 -110.77(8) . . . . ?
O1 Sr1 Sr2 C30 60.24(7) . . . . ?
O5 Sr1 Sr2 C30 -46.06(9) . . . . ?
C12 Sr1 Sr2 C30 -115.61(9) . . . . ?
Sr3 Sr1 Sr2 C30 67.04(6) . . . . ?
O3 Sr1 Sr2 Sr3 -179.01(8) . . . . ?
O2 Sr1 Sr2 Sr3 76.16(7) . . . . ?
O8 Sr1 Sr2 Sr3 -47.99(6) . . . . ?
O13 Sr1 Sr2 Sr3 46.25(6) . . . . ?
O4 Sr1 Sr2 Sr3 -177.80(6) . . . . ?
O1 Sr1 Sr2 Sr3 -6.80(5) . . . . ?
O5 Sr1 Sr2 Sr3 -113.10(7) . . . . ?
C12 Sr1 Sr2 Sr3 177.35(7) . . . . ?
O3 Sr1 Sr3 O11 18.73(11) . . . . ?
O2 Sr1 Sr3 O11 -120.36(10) . . . . ?
O8 Sr1 Sr3 O11 69.12(11) . . . . ?
O13 Sr1 Sr3 O11 -30.38(11) . . . . ?
O4 Sr1 Sr3 O11 37.7(5) . . . . ?
O1 Sr1 Sr3 O11 -170.79(11) . . . . ?
O5 Sr1 Sr3 O11 153.62(11) . . . . ?
C12 Sr1 Sr3 O11 14.98(12) . . . . ?
Sr2 Sr1 Sr3 O11 18.02(9) . . . . ?
O3 Sr1 Sr3 O12 -93.39(9) . . . . ?
O2 Sr1 Sr3 O12 127.52(8) . . . . ?
O8 Sr1 Sr3 O12 -43.00(9) . . . . ?
O13 Sr1 Sr3 O12 -142.50(9) . . . . ?
O4 Sr1 Sr3 O12 -74.4(5) . . . . ?
O1 Sr1 Sr3 O12 77.09(9) . . . . ?
O5 Sr1 Sr3 O12 41.51(9) . . . . ?
C12 Sr1 Sr3 O12 -97.14(10) . . . . ?
Sr2 Sr1 Sr3 O12 -94.10(7) . . . . ?
O3 Sr1 Sr3 O13 49.11(8) . . . . ?
O2 Sr1 Sr3 O13 -89.98(8) . . . . ?
O8 Sr1 Sr3 O13 99.50(8) . . . . ?
O4 Sr1 Sr3 O13 68.1(5) . . . . ?
O1 Sr1 Sr3 O13 -140.41(9) . . . . ?
O5 Sr1 Sr3 O13 -176.00(9) . . . . ?
C12 Sr1 Sr3 O13 45.36(10) . . . . ?
Sr2 Sr1 Sr3 O13 48.40(6) . . . . ?
O3 Sr1 Sr3 O8 -50.39(8) . . . . ?
O2 Sr1 Sr3 O8 170.52(8) . . . . ?
O13 Sr1 Sr3 O8 -99.50(9) . . . . ?
O4 Sr1 Sr3 O8 -31.4(5) . . . . ?
O1 Sr1 Sr3 O8 120.09(9) . . . . ?
O5 Sr1 Sr3 O8 84.50(8) . . . . ?
C12 Sr1 Sr3 O8 -54.14(10) . . . . ?
Sr2 Sr1 Sr3 O8 -51.10(6) . . . . ?
O3 Sr1 Sr3 O1 -170.48(9) . . . . ?
O2 Sr1 Sr3 O1 50.43(8) . . . . ?
O8 Sr1 Sr3 O1 -120.09(9) . . . . ?
O13 Sr1 Sr3 O1 140.41(9) . . . . ?
O4 Sr1 Sr3 O1 -151.5(5) . . . . ?
O5 Sr1 Sr3 O1 -35.58(9) . . . . ?
C12 Sr1 Sr3 O1 -174.23(10) . . . . ?
Sr2 Sr1 Sr3 O1 -171.19(6) . . . . ?
O3 Sr1 Sr3 O14 103.79(7) . . . . ?
O2 Sr1 Sr3 O14 -35.30(6) . . . . ?
O8 Sr1 Sr3 O14 154.19(7) . . . . ?
O13 Sr1 Sr3 O14 54.68(7) . . . . ?
O4 Sr1 Sr3 O14 122.7(5) . . . . ?
O1 Sr1 Sr3 O14 -85.73(8) . . . . ?
O5 Sr1 Sr3 O14 -121.31(7) . . . . ?
C12 Sr1 Sr3 O14 100.04(9) . . . . ?
Sr2 Sr1 Sr3 O14 103.08(4) . . . . ?
O3 Sr1 Sr3 O15 153.88(8) . . . . ?
O2 Sr1 Sr3 O15 14.79(8) . . . . ?
O8 Sr1 Sr3 O15 -155.72(8) . . . . ?
O13 Sr1 Sr3 O15 104.78(8) . . . . ?
O4 Sr1 Sr3 O15 172.8(5) . . . . ?
O1 Sr1 Sr3 O15 -35.63(9) . . . . ?
O5 Sr1 Sr3 O15 -71.22(8) . . . . ?
C12 Sr1 Sr3 O15 150.14(10) . . . . ?
Sr2 Sr1 Sr3 O15 153.18(6) . . . . ?
O3 Sr1 Sr3 Sr2 0.71(6) . . . . ?
O2 Sr1 Sr3 Sr2 -138.38(5) . . . . ?
O8 Sr1 Sr3 Sr2 51.10(6) . . . . ?
O13 Sr1 Sr3 Sr2 -48.40(6) . . . . ?
O4 Sr1 Sr3 Sr2 19.7(5) . . . . ?
O1 Sr1 Sr3 Sr2 171.19(6) . . . . ?
O5 Sr1 Sr3 Sr2 135.60(6) . . . . ?
C12 Sr1 Sr3 Sr2 -3.04(8) . . . . ?
O3 Sr2 Sr3 O11 -170.31(7) . . . . ?
O7 Sr2 Sr3 O11 55.09(12) . . . . ?
O6 Sr2 Sr3 O11 -68.24(8) . . . . ?
O13 Sr2 Sr3 O11 -110.15(8) . . . . ?
O8 Sr2 Sr3 O11 133.02(9) . . . . ?
O9 Sr2 Sr3 O11 67.53(7) . . . . ?
O10 Sr2 Sr3 O11 6.68(7) . . . . ?
C30 Sr2 Sr3 O11 114.27(8) . . . . ?
Sr1 Sr2 Sr3 O11 -169.62(5) . . . . ?
O3 Sr2 Sr3 O12 122.03(7) . . . . ?
O7 Sr2 Sr3 O12 -12.58(12) . . . . ?
O6 Sr2 Sr3 O12 -135.91(8) . . . . ?
O13 Sr2 Sr3 O12 -177.82(8) . . . . ?
O8 Sr2 Sr3 O12 65.35(8) . . . . ?
O9 Sr2 Sr3 O12 -0.14(7) . . . . ?
O10 Sr2 Sr3 O12 -60.99(7) . . . . ?
C30 Sr2 Sr3 O12 46.61(8) . . . . ?
Sr1 Sr2 Sr3 O12 122.71(5) . . . . ?
O3 Sr2 Sr3 O13 -60.15(9) . . . . ?
O7 Sr2 Sr3 O13 165.24(13) . . . . ?
O6 Sr2 Sr3 O13 41.91(9) . . . . ?
O8 Sr2 Sr3 O13 -116.83(10) . . . . ?
O9 Sr2 Sr3 O13 177.68(8) . . . . ?
O10 Sr2 Sr3 O13 116.83(8) . . . . ?
C30 Sr2 Sr3 O13 -135.57(9) . . . . ?
Sr1 Sr2 Sr3 O13 -59.47(7) . . . . ?
O3 Sr2 Sr3 O8 56.67(9) . . . . ?
O7 Sr2 Sr3 O8 -77.93(13) . . . . ?
O6 Sr2 Sr3 O8 158.73(9) . . . . ?
O13 Sr2 Sr3 O8 116.83(10) . . . . ?
O9 Sr2 Sr3 O8 -65.49(8) . . . . ?
O10 Sr2 Sr3 O8 -126.34(8) . . . . ?
C30 Sr2 Sr3 O8 -18.75(9) . . . . ?
Sr1 Sr2 Sr3 O8 57.35(7) . . . . ?
O3 Sr2 Sr3 O1 5.86(7) . . . . ?
O7 Sr2 Sr3 O1 -128.74(12) . . . . ?
O6 Sr2 Sr3 O1 107.93(8) . . . . ?
O13 Sr2 Sr3 O1 66.02(8) . . . . ?
O8 Sr2 Sr3 O1 -50.81(8) . . . . ?
O9 Sr2 Sr3 O1 -116.30(7) . . . . ?
O10 Sr2 Sr3 O1 -177.15(7) . . . . ?
C30 Sr2 Sr3 O1 -69.56(8) . . . . ?
Sr1 Sr2 Sr3 O1 6.55(5) . . . . ?
O3 Sr2 Sr3 O14 -82.07(7) . . . . ?
O7 Sr2 Sr3 O14 143.32(12) . . . . ?
O6 Sr2 Sr3 O14 19.99(8) . . . . ?
O13 Sr2 Sr3 O14 -21.92(8) . . . . ?
O8 Sr2 Sr3 O14 -138.74(8) . . . . ?
O9 Sr2 Sr3 O14 155.76(6) . . . . ?
O10 Sr2 Sr3 O14 94.91(6) . . . . ?
C30 Sr2 Sr3 O14 -157.49(8) . . . . ?
Sr1 Sr2 Sr3 O14 -81.39(4) . . . . ?
O3 Sr2 Sr3 O15 -107.20(14) . . . . ?
O7 Sr2 Sr3 O15 118.19(17) . . . . ?
O6 Sr2 Sr3 O15 -5.14(15) . . . . ?
O13 Sr2 Sr3 O15 -47.05(15) . . . . ?
O8 Sr2 Sr3 O15 -163.87(15) . . . . ?
O9 Sr2 Sr3 O15 130.63(14) . . . . ?
O10 Sr2 Sr3 O15 69.78(14) . . . . ?
C30 Sr2 Sr3 O15 177.38(14) . . . . ?
Sr1 Sr2 Sr3 O15 -106.52(13) . . . . ?
O3 Sr2 Sr3 Sr1 -0.68(5) . . . . ?
O7 Sr2 Sr3 Sr1 -135.29(11) . . . . ?
O6 Sr2 Sr3 Sr1 101.38(6) . . . . ?
O13 Sr2 Sr3 Sr1 59.47(7) . . . . ?
O8 Sr2 Sr3 Sr1 -57.35(7) . . . . ?
O9 Sr2 Sr3 Sr1 -122.85(4) . . . . ?
O10 Sr2 Sr3 Sr1 176.30(5) . . . . ?
C30 Sr2 Sr3 Sr1 -76.10(6) . . . . ?
O11 Sr3 O1 C1 3.5(5) . . . . ?
O12 Sr3 O1 C1 80.8(3) . . . . ?
O13 Sr3 O1 C1 -124.4(3) . . . . ?
O8 Sr3 O1 C1 170.4(3) . . . . ?
O14 Sr3 O1 C1 -59.4(3) . . . . ?
O15 Sr3 O1 C1 1.2(3) . . . . ?
Sr1 Sr3 O1 C1 -151.4(3) . . . . ?
Sr2 Sr3 O1 C1 -158.8(3) . . . . ?
O11 Sr3 O1 Sr1 154.9(3) . . . . ?
O12 Sr3 O1 Sr1 -127.77(6) . . . . ?
O13 Sr3 O1 Sr1 27.00(6) . . . . ?
O8 Sr3 O1 Sr1 -38.21(6) . . . . ?
O14 Sr3 O1 Sr1 91.96(6) . . . . ?
O15 Sr3 O1 Sr1 152.57(7) . . . . ?
Sr2 Sr3 O1 Sr1 -7.41(5) . . . . ?
O3 Sr1 O1 C1 175.5(2) . . . . ?
O2 Sr1 O1 C1 29.7(2) . . . . ?
O8 Sr1 O1 C1 -166.5(2) . . . . ?
O13 Sr1 O1 C1 128.2(2) . . . . ?
O4 Sr1 O1 C1 -30.1(3) . . . . ?
O5 Sr1 O1 C1 -55.4(2) . . . . ?
C12 Sr1 O1 C1 -161.7(6) . . . . ?
Sr2 Sr1 O1 C1 163.4(2) . . . . ?
Sr3 Sr1 O1 C1 154.6(3) . . . . ?
O3 Sr1 O1 Sr3 20.97(18) . . . . ?
O2 Sr1 O1 Sr3 -124.90(7) . . . . ?
O8 Sr1 O1 Sr3 38.89(6) . . . . ?
O13 Sr1 O1 Sr3 -26.41(6) . . . . ?
O4 Sr1 O1 Sr3 175.35(9) . . . . ?
O5 Sr1 O1 Sr3 149.98(7) . . . . ?
C12 Sr1 O1 Sr3 43.7(7) . . . . ?
Sr2 Sr1 O1 Sr3 8.86(6) . . . . ?
O3 Sr1 O2 C3 -177.2(2) . . . . ?
O8 Sr1 O2 C3 -41.6(3) . . . . ?
O13 Sr1 O2 C3 -96.3(3) . . . . ?
O4 Sr1 O2 C3 130.1(3) . . . . ?
O1 Sr1 O2 C3 -16.2(3) . . . . ?
O5 Sr1 O2 C3 68.7(3) . . . . ?
C12 Sr1 O2 C3 165.3(3) . . . . ?
Sr2 Sr1 O2 C3 -117.3(3) . . . . ?
Sr3 Sr1 O2 C3 -52.2(3) . . . . ?
O7 Sr2 O3 C12 -29.5(3) . . . . ?
O6 Sr2 O3 C12 40.4(3) . . . . ?
O13 Sr2 O3 C12 136.4(3) . . . . ?
O8 Sr2 O3 C12 -159.5(3) . . . . ?
O9 Sr2 O3 C12 -114.9(3) . . . . ?
O10 Sr2 O3 C12 14.7(8) . . . . ?
C30 Sr2 O3 C12 -136.7(3) . . . . ?
Sr1 Sr2 O3 C12 167.7(4) . . . . ?
Sr3 Sr2 O3 C12 168.5(3) . . . . ?
O7 Sr2 O3 Sr1 162.81(7) . . . . ?
O6 Sr2 O3 Sr1 -127.25(7) . . . . ?
O13 Sr2 O3 Sr1 -31.22(7) . . . . ?
O8 Sr2 O3 Sr1 32.87(6) . . . . ?
O9 Sr2 O3 Sr1 77.44(9) . . . . ?
O10 Sr2 O3 Sr1 -153.0(5) . . . . ?
C30 Sr2 O3 Sr1 55.63(7) . . . . ?
Sr3 Sr2 O3 Sr1 0.84(7) . . . . ?
O2 Sr1 O3 C12 -51.4(3) . . . . ?
O8 Sr1 O3 C12 155.1(2) . . . . ?
O13 Sr1 O3 C12 -139.4(2) . . . . ?
O4 Sr1 O3 C12 10.7(2) . . . . ?
O1 Sr1 O3 C12 172.7(2) . . . . ?
O5 Sr1 O3 C12 49.4(3) . . . . ?
Sr2 Sr1 O3 C12 -170.6(3) . . . . ?
Sr3 Sr1 O3 C12 -171.5(2) . . . . ?
O2 Sr1 O3 Sr2 119.10(8) . . . . ?
O8 Sr1 O3 Sr2 -34.36(7) . . . . ?
O13 Sr1 O3 Sr2 31.15(7) . . . . ?
O4 Sr1 O3 Sr2 -178.71(10) . . . . ?
O1 Sr1 O3 Sr2 -16.73(19) . . . . ?
O5 Sr1 O3 Sr2 -140.08(7) . . . . ?
C12 Sr1 O3 Sr2 170.6(3) . . . . ?
Sr3 Sr1 O3 Sr2 -0.98(8) . . . . ?
O3 Sr1 O4 C14 153.6(4) . . . . ?
O2 Sr1 O4 C14 -68.0(4) . . . . ?
O8 Sr1 O4 C14 105.2(4) . . . . ?
O13 Sr1 O4 C14 -163.8(4) . . . . ?
O1 Sr1 O4 C14 -14.3(4) . . . . ?
O5 Sr1 O4 C14 14.6(4) . . . . ?
C12 Sr1 O4 C14 158.8(4) . . . . ?
Sr2 Sr1 O4 C14 152.7(4) . . . . ?
Sr3 Sr1 O4 C14 133.8(5) . . . . ?
O3 Sr1 O4 C13 18.6(2) . . . . ?
O2 Sr1 O4 C13 157.0(2) . . . . ?
O8 Sr1 O4 C13 -29.8(2) . . . . ?
O13 Sr1 O4 C13 61.1(2) . . . . ?
O1 Sr1 O4 C13 -149.35(19) . . . . ?
O5 Sr1 O4 C13 -120.4(2) . . . . ?
C12 Sr1 O4 C13 23.8(2) . . . . ?
Sr2 Sr1 O4 C13 17.7(2) . . . . ?
Sr3 Sr1 O4 C13 -1.2(6) . . . . ?
O3 Sr1 O5 C15 -65.8(4) . . . . ?
O2 Sr1 O5 C15 66.2(4) . . . . ?
O8 Sr1 O5 C15 -152.2(4) . . . . ?
O13 Sr1 O5 C15 149.6(4) . . . . ?
O4 Sr1 O5 C15 -26.1(4) . . . . ?
O1 Sr1 O5 C15 135.7(4) . . . . ?
C12 Sr1 O5 C15 -50.6(4) . . . . ?
Sr2 Sr1 O5 C15 -107.4(4) . . . . ?
Sr3 Sr1 O5 C15 160.4(3) . . . . ?
O3 Sr1 O5 C18 140.6(4) . . . . ?
O2 Sr1 O5 C18 -87.4(4) . . . . ?
O8 Sr1 O5 C18 54.2(4) . . . . ?
O13 Sr1 O5 C18 -4.0(5) . . . . ?
O4 Sr1 O5 C18 -179.7(4) . . . . ?
O1 Sr1 O5 C18 -18.0(4) . . . . ?
C12 Sr1 O5 C18 155.8(4) . . . . ?
Sr2 Sr1 O5 C18 98.9(4) . . . . ?
Sr3 Sr1 O5 C18 6.7(4) . . . . ?
Sr3 O1 C1 C2 109.8(3) . . . . ?
Sr1 O1 C1 C2 -31.9(4) . . . . ?
Sr3 O1 C1 C4 -68.5(4) . . . . ?
Sr1 O1 C1 C4 149.8(2) . . . . ?
O1 C1 C2 C3 5.2(5) . . . . ?
C4 C1 C2 C3 -176.5(3) . . . . ?
Sr1 O2 C3 C2 2.9(5) . . . . ?
Sr1 O2 C3 C8 -176.41(19) . . . . ?
C1 C2 C3 O2 11.2(5) . . . . ?
C1 C2 C3 C8 -169.6(3) . . . . ?
O1 C1 C4 C5 -3.7(4) . . . . ?
C2 C1 C4 C5 177.9(3) . . . . ?
O1 C1 C4 C7 -124.3(3) . . . . ?
C2 C1 C4 C7 57.3(4) . . . . ?
O1 C1 C4 C6 116.1(3) . . . . ?
C2 C1 C4 C6 -62.3(4) . . . . ?
O2 C3 C8 C10 65.6(4) . . . . ?
C2 C3 C8 C10 -113.7(3) . . . . ?
O2 C3 C8 C11 -52.3(4) . . . . ?
C2 C3 C8 C11 128.4(3) . . . . ?
O2 C3 C8 C9 -173.6(3) . . . . ?
C2 C3 C8 C9 7.1(5) . . . . ?
Sr2 O3 C12 C13 158.8(2) . . . . ?
Sr1 O3 C12 C13 -36.0(4) . . . . ?
Sr2 O3 C12 C17 -80.6(4) . . . . ?
Sr1 O3 C12 C17 84.6(3) . . . . ?
Sr2 O3 C12 C16 40.2(5) . . . . ?
Sr1 O3 C12 C16 -154.6(3) . . . . ?
Sr2 O3 C12 Sr1 -165.2(4) . . . . ?
O2 Sr1 C12 O3 138.6(2) . . . . ?
O8 Sr1 C12 O3 -24.7(2) . . . . ?
O13 Sr1 C12 O3 40.0(2) . . . . ?
O4 Sr1 C12 O3 -166.2(3) . . . . ?
O1 Sr1 C12 O3 -29.5(8) . . . . ?
O5 Sr1 C12 O3 -134.8(2) . . . . ?
Sr2 Sr1 C12 O3 7.2(2) . . . . ?
Sr3 Sr1 C12 O3 10.4(3) . . . . ?
O3 Sr1 C12 C13 145.5(4) . . . . ?
O2 Sr1 C12 C13 -75.9(2) . . . . ?
O8 Sr1 C12 C13 120.78(19) . . . . ?
O13 Sr1 C12 C13 -174.46(19) . . . . ?
O4 Sr1 C12 C13 -20.64(17) . . . . ?
O1 Sr1 C12 C13 116.0(6) . . . . ?
O5 Sr1 C12 C13 10.7(2) . . . . ?
Sr2 Sr1 C12 C13 152.7(2) . . . . ?
Sr3 Sr1 C12 C13 155.90(16) . . . . ?
O3 Sr1 C12 C17 -106.8(3) . . . . ?
O2 Sr1 C12 C17 31.8(2) . . . . ?
O8 Sr1 C12 C17 -131.5(2) . . . . ?
O13 Sr1 C12 C17 -66.8(2) . . . . ?
O4 Sr1 C12 C17 87.1(2) . . . . ?
O1 Sr1 C12 C17 -136.2(6) . . . . ?
O5 Sr1 C12 C17 118.4(2) . . . . ?
Sr2 Sr1 C12 C17 -99.6(2) . . . . ?
Sr3 Sr1 C12 C17 -96.4(2) . . . . ?
O3 Sr1 C12 C16 40.1(4) . . . . ?
O2 Sr1 C12 C16 178.6(4) . . . . ?
O8 Sr1 C12 C16 15.3(5) . . . . ?
O13 Sr1 C12 C16 80.1(5) . . . . ?
O4 Sr1 C12 C16 -126.1(5) . . . . ?
O1 Sr1 C12 C16 10.6(10) . . . . ?
O5 Sr1 C12 C16 -94.8(5) . . . . ?
Sr2 Sr1 C12 C16 47.2(5) . . . . ?
Sr3 Sr1 C12 C16 50.4(5) . . . . ?
C14 O4 C13 C12 178.1(3) . . . . ?
Sr1 O4 C13 C12 -42.3(3) . . . . ?
O3 C12 C13 O4 49.7(4) . . . . ?
C17 C12 C13 O4 -71.5(3) . . . . ?
C16 C12 C13 O4 169.5(3) . . . . ?
Sr1 C12 C13 O4 28.9(2) . . . . ?
C13 O4 C14 C15 134.1(6) . . . . ?
Sr1 O4 C14 C15 -2.3(8) . . . . ?
C18 O5 C15 C14 -165.0(6) . . . . ?
Sr1 O5 C15 C14 38.6(7) . . . . ?
O4 C14 C15 O5 -25.5(9) . . . . ?
O3 Sr2 O6 C19 -90.8(3) . . . . ?
O7 Sr2 O6 C19 7.0(3) . . . . ?
O13 Sr2 O6 C19 -171.6(3) . . . . ?
O8 Sr2 O6 C19 -157.2(3) . . . . ?
O9 Sr2 O6 C19 59.1(3) . . . . ?
O10 Sr2 O6 C19 86.2(3) . . . . ?
C30 Sr2 O6 C19 -46.6(11) . . . . ?
Sr1 Sr2 O6 C19 -128.3(3) . . . . ?
Sr3 Sr2 O6 C19 164.4(3) . . . . ?
O3 Sr2 O7 C21 80.5(3) . . . . ?
O6 Sr2 O7 C21 -10.5(3) . . . . ?
O13 Sr2 O7 C21 -4.6(5) . . . . ?
O8 Sr2 O7 C21 162.0(3) . . . . ?
O9 Sr2 O7 C21 -156.9(3) . . . . ?
O10 Sr2 O7 C21 -94.6(3) . . . . ?
C30 Sr2 O7 C21 166.0(3) . . . . ?
Sr1 Sr2 O7 C21 98.2(3) . . . . ?
Sr3 Sr2 O7 C21 -144.8(2) . . . . ?
O3 Sr1 O8 C30 -83.8(2) . . . . ?
O2 Sr1 O8 C30 128.4(2) . . . . ?
O13 Sr1 O8 C30 -167.2(2) . . . . ?
O4 Sr1 O8 C30 -40.8(2) . . . . ?
O1 Sr1 O8 C30 104.0(2) . . . . ?
O5 Sr1 O8 C30 26.9(2) . . . . ?
C12 Sr1 O8 C30 -75.5(2) . . . . ?
Sr2 Sr1 O8 C30 -114.8(2) . . . . ?
Sr3 Sr1 O8 C30 143.5(2) . . . . ?
O3 Sr1 O8 Sr3 132.69(7) . . . . ?
O2 Sr1 O8 Sr3 -15.07(12) . . . . ?
O13 Sr1 O8 Sr3 49.24(6) . . . . ?
O4 Sr1 O8 Sr3 175.73(6) . . . . ?
O1 Sr1 O8 Sr3 -39.51(6) . . . . ?
O5 Sr1 O8 Sr3 -116.61(6) . . . . ?
C12 Sr1 O8 Sr3 141.03(7) . . . . ?
Sr2 Sr1 O8 Sr3 101.68(6) . . . . ?
O3 Sr1 O8 Sr2 31.01(6) . . . . ?
O2 Sr1 O8 Sr2 -116.75(9) . . . . ?
O13 Sr1 O8 Sr2 -52.44(5) . . . . ?
O4 Sr1 O8 Sr2 74.05(8) . . . . ?
O1 Sr1 O8 Sr2 -141.19(6) . . . . ?
O5 Sr1 O8 Sr2 141.71(6) . . . . ?
C12 Sr1 O8 Sr2 39.35(8) . . . . ?
Sr3 Sr1 O8 Sr2 -101.68(6) . . . . ?
O11 Sr3 O8 C30 71.7(2) . . . . ?
O12 Sr3 O8 C30 2.6(2) . . . . ?
O13 Sr3 O8 C30 163.7(2) . . . . ?
O1 Sr3 O8 C30 -105.1(2) . . . . ?
O14 Sr3 O8 C30 -178.84(18) . . . . ?
O15 Sr3 O8 C30 -71.5(3) . . . . ?
Sr1 Sr3 O8 C30 -145.6(2) . . . . ?
Sr2 Sr3 O8 C30 126.3(2) . . . . ?
O11 Sr3 O8 Sr1 -142.68(6) . . . . ?
O12 Sr3 O8 Sr1 148.21(6) . . . . ?
O13 Sr3 O8 Sr1 -50.69(6) . . . . ?
O1 Sr3 O8 Sr1 40.49(6) . . . . ?
O14 Sr3 O8 Sr1 -33.25(9) . . . . ?
O15 Sr3 O8 Sr1 74.1(2) . . . . ?
Sr2 Sr3 O8 Sr1 -88.12(7) . . . . ?
O11 Sr3 O8 Sr2 -54.56(9) . . . . ?
O12 Sr3 O8 Sr2 -123.67(7) . . . . ?
O13 Sr3 O8 Sr2 37.43(6) . . . . ?
O1 Sr3 O8 Sr2 128.61(8) . . . . ?
O14 Sr3 O8 Sr2 54.87(9) . . . . ?
O15 Sr3 O8 Sr2 162.20(16) . . . . ?
Sr1 Sr3 O8 Sr2 88.12(7) . . . . ?
O3 Sr2 O8 C30 100.94(17) . . . . ?
O7 Sr2 O8 C30 9.8(2) . . . . ?
O6 Sr2 O8 C30 170.15(19) . . . . ?
O13 Sr2 O8 C30 -173.73(18) . . . . ?
O9 Sr2 O8 C30 -37.53(16) . . . . ?
O10 Sr2 O8 C30 -78.33(17) . . . . ?
Sr1 Sr2 O8 C30 132.53(18) . . . . ?
Sr3 Sr2 O8 C30 -136.49(19) . . . . ?
O3 Sr2 O8 Sr1 -31.59(6) . . . . ?
O7 Sr2 O8 Sr1 -122.69(8) . . . . ?
O6 Sr2 O8 Sr1 37.62(19) . . . . ?
O13 Sr2 O8 Sr1 53.74(6) . . . . ?
O9 Sr2 O8 Sr1 -170.06(8) . . . . ?
O10 Sr2 O8 Sr1 149.14(6) . . . . ?
C30 Sr2 O8 Sr1 -132.53(18) . . . . ?
Sr3 Sr2 O8 Sr1 90.98(7) . . . . ?
O3 Sr2 O8 Sr3 -122.57(8) . . . . ?
O7 Sr2 O8 Sr3 146.34(7) . . . . ?
O6 Sr2 O8 Sr3 -53.4(2) . . . . ?
O13 Sr2 O8 Sr3 -37.24(6) . . . . ?
O9 Sr2 O8 Sr3 98.96(8) . . . . ?
O10 Sr2 O8 Sr3 58.16(8) . . . . ?
C30 Sr2 O8 Sr3 136.49(19) . . . . ?
Sr1 Sr2 O8 Sr3 -90.98(7) . . . . ?
O3 Sr2 O9 C32 173.81(19) . . . . ?
O7 Sr2 O9 C32 79.1(2) . . . . ?
O6 Sr2 O9 C32 30.7(2) . . . . ?
O13 Sr2 O9 C32 -94.0(2) . . . . ?
O8 Sr2 O9 C32 -135.3(2) . . . . ?
O10 Sr2 O9 C32 -0.17(19) . . . . ?
C30 Sr2 O9 C32 -154.9(2) . . . . ?
Sr1 Sr2 O9 C32 -142.52(19) . . . . ?
Sr3 Sr2 O9 C32 -95.5(2) . . . . ?
O3 Sr2 O9 C31 -42.5(2) . . . . ?
O7 Sr2 O9 C31 -137.22(19) . . . . ?
O6 Sr2 O9 C31 174.38(17) . . . . ?
O13 Sr2 O9 C31 49.65(19) . . . . ?
O8 Sr2 O9 C31 8.44(17) . . . . ?
O10 Sr2 O9 C31 143.5(2) . . . . ?
C30 Sr2 O9 C31 -11.19(17) . . . . ?
Sr1 Sr2 O9 C31 1.17(19) . . . . ?
Sr3 Sr2 O9 C31 48.16(18) . . . . ?
O3 Sr2 O10 C36 24.9(7) . . . . ?
O7 Sr2 O10 C36 70.0(2) . . . . ?
O6 Sr2 O10 C36 -1.2(2) . . . . ?
O13 Sr2 O10 C36 -95.7(2) . . . . ?
O8 Sr2 O10 C36 -161.18(19) . . . . ?
O9 Sr2 O10 C36 157.6(2) . . . . ?
C30 Sr2 O10 C36 175.7(2) . . . . ?
Sr1 Sr2 O10 C36 -124.13(19) . . . . ?
Sr3 Sr2 O10 C36 -129.3(2) . . . . ?
O3 Sr2 O10 C33 -100.9(6) . . . . ?
O7 Sr2 O10 C33 -55.70(18) . . . . ?
O6 Sr2 O10 C33 -126.95(18) . . . . ?
O13 Sr2 O10 C33 138.57(17) . . . . ?
O8 Sr2 O10 C33 73.11(18) . . . . ?
O9 Sr2 O10 C33 31.84(17) . . . . ?
C30 Sr2 O10 C33 49.96(18) . . . . ?
Sr1 Sr2 O10 C33 110.16(17) . . . . ?
Sr3 Sr2 O10 C33 105.00(17) . . . . ?
Sr2 O6 C19 C20 -4.2(5) . . . . ?
Sr2 O6 C19 C22 173.8(2) . . . . ?
O6 C19 C20 C21 -0.8(5) . . . . ?
C22 C19 C20 C21 -178.6(3) . . . . ?
Sr2 O7 C21 C20 11.1(5) . . . . ?
Sr2 O7 C21 C26 -168.1(2) . . . . ?
C19 C20 C21 O7 -2.6(5) . . . . ?
C19 C20 C21 C26 176.6(3) . . . . ?
O6 C19 C22 C24 132.3(3) . . . . ?
C20 C19 C22 C24 -49.7(4) . . . . ?
O6 C19 C22 C23 -107.0(3) . . . . ?
C20 C19 C22 C23 71.1(4) . . . . ?
O6 C19 C22 C25 10.9(4) . . . . ?
C20 C19 C22 C25 -171.1(3) . . . . ?
O7 C21 C26 C29 -175.7(3) . . . . ?
C20 C21 C26 C29 5.0(4) . . . . ?
O7 C21 C26 C28 -53.7(4) . . . . ?
C20 C21 C26 C28 127.0(3) . . . . ?
O7 C21 C26 C27 63.8(4) . . . . ?
C20 C21 C26 C27 -115.5(4) . . . . ?
Sr1 O8 C30 C31 168.82(16) . . . . ?
Sr3 O8 C30 C31 -59.0(3) . . . . ?
Sr2 O8 C30 C31 63.8(2) . . . . ?
Sr1 O8 C30 C35 -72.8(3) . . . . ?
Sr3 O8 C30 C35 59.4(3) . . . . ?
Sr2 O8 C30 C35 -177.79(19) . . . . ?
Sr1 O8 C30 C34 48.0(3) . . . . ?
Sr3 O8 C30 C34 -179.77(17) . . . . ?
Sr2 O8 C30 C34 -57.0(3) . . . . ?
Sr1 O8 C30 Sr2 105.0(2) . . . . ?
Sr3 O8 C30 Sr2 -122.8(2) . . . . ?
O3 Sr2 C30 O8 -75.28(17) . . . . ?
O7 Sr2 C30 O8 -172.17(16) . . . . ?
O6 Sr2 C30 O8 -119.8(10) . . . . ?
O13 Sr2 C30 O8 5.60(16) . . . . ?
O9 Sr2 C30 O8 130.6(2) . . . . ?
O10 Sr2 C30 O8 108.07(17) . . . . ?
Sr1 Sr2 C30 O8 -35.91(15) . . . . ?
Sr3 Sr2 C30 O8 30.66(14) . . . . ?
O3 Sr2 C30 C31 163.33(17) . . . . ?
O7 Sr2 C30 C31 66.45(17) . . . . ?
O6 Sr2 C30 C31 118.8(10) . . . . ?
O13 Sr2 C30 C31 -115.79(16) . . . . ?
O8 Sr2 C30 C31 -121.4(3) . . . . ?
O9 Sr2 C30 C31 9.25(14) . . . . ?
O10 Sr2 C30 C31 -13.31(17) . . . . ?
Sr1 Sr2 C30 C31 -157.30(17) . . . . ?
Sr3 Sr2 C30 C31 -90.73(16) . . . . ?
O3 Sr2 C30 C35 -69.9(5) . . . . ?
O7 Sr2 C30 C35 -166.8(5) . . . . ?
O6 Sr2 C30 C35 -114.4(10) . . . . ?
O13 Sr2 C30 C35 10.9(5) . . . . ?
O8 Sr2 C30 C35 5.3(4) . . . . ?
O9 Sr2 C30 C35 136.0(6) . . . . ?
O10 Sr2 C30 C35 113.4(5) . . . . ?
Sr1 Sr2 C30 C35 -30.6(5) . . . . ?
Sr3 Sr2 C30 C35 36.0(5) . . . . ?
O3 Sr2 C30 C34 52.60(17) . . . . ?
O7 Sr2 C30 C34 -44.29(18) . . . . ?
O6 Sr2 C30 C34 8.1(11) . . . . ?
O13 Sr2 C30 C34 133.48(18) . . . . ?
O8 Sr2 C30 C34 127.9(3) . . . . ?
O9 Sr2 C30 C34 -101.48(19) . . . . ?
O10 Sr2 C30 C34 -124.05(17) . . . . ?
Sr1 Sr2 C30 C34 91.96(17) . . . . ?
Sr3 Sr2 C30 C34 158.54(19) . . . . ?
C32 O9 C31 C30 165.3(2) . . . . ?
Sr2 O9 C31 C30 18.7(3) . . . . ?
O8 C30 C31 O9 -54.0(3) . . . . ?
C35 C30 C31 O9 -173.8(2) . . . . ?
C34 C30 C31 O9 67.4(3) . . . . ?
Sr2 C30 C31 O9 -12.9(2) . . . . ?
C31 O9 C32 C33 -175.5(2) . . . . ?
Sr2 O9 C32 C33 -29.7(3) . . . . ?
C36 O10 C33 C32 170.4(3) . . . . ?
Sr2 O10 C33 C32 -61.2(3) . . . . ?
O9 C32 C33 O10 60.6(3) . . . . ?
O12 Sr3 O11 C37 -1.5(3) . . . . ?
O13 Sr3 O11 C37 -153.5(3) . . . . ?
O8 Sr3 O11 C37 -85.6(3) . . . . ?
O1 Sr3 O11 C37 80.2(4) . . . . ?
O14 Sr3 O11 C37 142.9(3) . . . . ?
O15 Sr3 O11 C37 82.5(3) . . . . ?
Sr1 Sr3 O11 C37 -131.9(3) . . . . ?
Sr2 Sr3 O11 C37 -117.1(3) . . . . ?
O11 Sr3 O12 C39 0.3(3) . . . . ?
O13 Sr3 O12 C39 78.2(3) . . . . ?
O8 Sr3 O12 C39 116.9(3) . . . . ?
O1 Sr3 O12 C39 -166.5(3) . . . . ?
O14 Sr3 O12 C39 -61.4(3) . . . . ?
O15 Sr3 O12 C39 -82.3(3) . . . . ?
Sr1 Sr3 O12 C39 145.2(3) . . . . ?
Sr2 Sr3 O12 C39 81.1(3) . . . . ?
O11 Sr3 O13 C48 -67.89(19) . . . . ?
O12 Sr3 O13 C48 -137.69(18) . . . . ?
O8 Sr3 O13 C48 178.8(2) . . . . ?
O1 Sr3 O13 C48 101.90(18) . . . . ?
O14 Sr3 O13 C48 14.08(17) . . . . ?
O15 Sr3 O13 C48 18.6(2) . . . . ?
Sr1 Sr3 O13 C48 129.7(2) . . . . ?
Sr2 Sr3 O13 C48 -141.9(2) . . . . ?
O11 Sr3 O13 Sr2 74.05(8) . . . . ?
O12 Sr3 O13 Sr2 4.25(16) . . . . ?
O8 Sr3 O13 Sr2 -39.24(6) . . . . ?
O1 Sr3 O13 Sr2 -116.17(7) . . . . ?
O14 Sr3 O13 Sr2 156.02(9) . . . . ?
O15 Sr3 O13 Sr2 160.58(6) . . . . ?
Sr1 Sr3 O13 Sr2 -88.40(7) . . . . ?
O11 Sr3 O13 Sr1 162.45(6) . . . . ?
O12 Sr3 O13 Sr1 92.65(13) . . . . ?
O8 Sr3 O13 Sr1 49.16(6) . . . . ?
O1 Sr3 O13 Sr1 -27.77(6) . . . . ?
O14 Sr3 O13 Sr1 -115.58(7) . . . . ?
O15 Sr3 O13 Sr1 -111.03(7) . . . . ?
Sr2 Sr3 O13 Sr1 88.40(7) . . . . ?
O3 Sr2 O13 C48 -99.68(19) . . . . ?
O7 Sr2 O13 C48 -12.4(4) . . . . ?
O6 Sr2 O13 C48 -6.8(2) . . . . ?
O8 Sr2 O13 C48 179.0(2) . . . . ?
O9 Sr2 O13 C48 138.13(19) . . . . ?
O10 Sr2 O13 C48 74.35(19) . . . . ?
C30 Sr2 O13 C48 176.5(2) . . . . ?
Sr1 Sr2 O13 C48 -129.0(2) . . . . ?
Sr3 Sr2 O13 C48 140.5(2) . . . . ?
O3 Sr2 O13 Sr3 119.81(8) . . . . ?
O7 Sr2 O13 Sr3 -152.9(2) . . . . ?
O6 Sr2 O13 Sr3 -147.32(7) . . . . ?
O8 Sr2 O13 Sr3 38.50(6) . . . . ?
O9 Sr2 O13 Sr3 -2.38(8) . . . . ?
O10 Sr2 O13 Sr3 -66.16(7) . . . . ?
C30 Sr2 O13 Sr3 36.04(7) . . . . ?
Sr1 Sr2 O13 Sr3 90.53(7) . . . . ?
O3 Sr2 O13 Sr1 29.28(6) . . . . ?
O7 Sr2 O13 Sr1 116.6(3) . . . . ?
O6 Sr2 O13 Sr1 122.15(6) . . . . ?
O8 Sr2 O13 Sr1 -52.03(6) . . . . ?
O9 Sr2 O13 Sr1 -92.91(6) . . . . ?
O10 Sr2 O13 Sr1 -156.68(6) . . . . ?
C30 Sr2 O13 Sr1 -54.48(6) . . . . ?
Sr3 Sr2 O13 Sr1 -90.53(7) . . . . ?
O3 Sr1 O13 C48 99.36(19) . . . . ?
O2 Sr1 O13 C48 -31.76(19) . . . . ?
O8 Sr1 O13 C48 -177.1(2) . . . . ?
O4 Sr1 O13 C48 61.2(2) . . . . ?
O1 Sr1 O13 C48 -99.58(18) . . . . ?
O5 Sr1 O13 C48 -113.5(3) . . . . ?
C12 Sr1 O13 C48 86.48(19) . . . . ?
Sr2 Sr1 O13 C48 128.4(2) . . . . ?
Sr3 Sr1 O13 C48 -126.8(2) . . . . ?
O3 Sr1 O13 Sr3 -133.83(7) . . . . ?
O2 Sr1 O13 Sr3 95.05(7) . . . . ?
O8 Sr1 O13 Sr3 -50.28(6) . . . . ?
O4 Sr1 O13 Sr3 -171.95(8) . . . . ?
O1 Sr1 O13 Sr3 27.23(6) . . . . ?
O5 Sr1 O13 Sr3 13.3(3) . . . . ?
C12 Sr1 O13 Sr3 -146.71(7) . . . . ?
Sr2 Sr1 O13 Sr3 -104.81(7) . . . . ?
O3 Sr1 O13 Sr2 -29.02(6) . . . . ?
O2 Sr1 O13 Sr2 -160.14(6) . . . . ?
O8 Sr1 O13 Sr2 54.54(6) . . . . ?
O4 Sr1 O13 Sr2 -67.14(11) . . . . ?
O1 Sr1 O13 Sr2 132.05(7) . . . . ?
O5 Sr1 O13 Sr2 118.1(2) . . . . ?
C12 Sr1 O13 Sr2 -41.90(7) . . . . ?
Sr3 Sr1 O13 Sr2 104.81(7) . . . . ?
O11 Sr3 O14 C50 -107.21(19) . . . . ?
O12 Sr3 O14 C50 -51.6(2) . . . . ?
O13 Sr3 O14 C50 148.09(19) . . . . ?
O8 Sr3 O14 C50 130.63(18) . . . . ?
O1 Sr3 O14 C50 61.52(18) . . . . ?
O15 Sr3 O14 C50 -27.63(17) . . . . ?
Sr1 Sr3 O14 C50 108.26(18) . . . . ?
Sr2 Sr3 O14 C50 162.82(17) . . . . ?
O11 Sr3 O14 C49 122.73(17) . . . . ?
O12 Sr3 O14 C49 178.37(16) . . . . ?
O13 Sr3 O14 C49 18.03(16) . . . . ?
O8 Sr3 O14 C49 0.58(19) . . . . ?
O1 Sr3 O14 C49 -68.54(17) . . . . ?
O15 Sr3 O14 C49 -157.68(18) . . . . ?
Sr1 Sr3 O14 C49 -21.79(16) . . . . ?
Sr2 Sr3 O14 C49 32.76(17) . . . . ?
O11 Sr3 O15 C54 -53.1(2) . . . . ?
O12 Sr3 O15 C54 17.5(2) . . . . ?
O13 Sr3 O15 C54 -151.5(2) . . . . ?
O8 Sr3 O15 C54 93.8(3) . . . . ?
O1 Sr3 O15 C54 126.4(2) . . . . ?
O14 Sr3 O15 C54 -146.7(3) . . . . ?
Sr1 Sr3 O15 C54 151.5(2) . . . . ?
Sr2 Sr3 O15 C54 -118.0(2) . . . . ?
O11 Sr3 O15 C51 87.5(2) . . . . ?
O12 Sr3 O15 C51 158.2(2) . . . . ?
O13 Sr3 O15 C51 -10.8(2) . . . . ?
O8 Sr3 O15 C51 -125.5(2) . . . . ?
O1 Sr3 O15 C51 -93.0(2) . . . . ?
O14 Sr3 O15 C51 -6.08(19) . . . . ?
Sr1 Sr3 O15 C51 -67.8(2) . . . . ?
Sr2 Sr3 O15 C51 22.6(3) . . . . ?
Sr3 O11 C37 C38 1.9(5) . . . . ?
Sr3 O11 C37 C40 -175.33(19) . . . . ?
O11 C37 C38 C39 -0.5(5) . . . . ?
C40 C37 C38 C39 176.6(3) . . . . ?
Sr3 O12 C39 C38 0.4(5) . . . . ?
Sr3 O12 C39 C44 -178.42(19) . . . . ?
C37 C38 C39 O12 -0.6(5) . . . . ?
C37 C38 C39 C44 178.2(3) . . . . ?
O11 C37 C40 C42 -165.9(3) . . . . ?
C38 C37 C40 C42 16.8(4) . . . . ?
O11 C37 C40 C41 -44.6(4) . . . . ?
C38 C37 C40 C41 138.1(3) . . . . ?
O11 C37 C40 C43 72.6(3) . . . . ?
C38 C37 C40 C43 -104.7(3) . . . . ?
O12 C39 C44 C45 -46.3(3) . . . . ?
C38 C39 C44 C45 134.9(3) . . . . ?
O12 C39 C44 C46 -168.8(3) . . . . ?
C38 C39 C44 C46 12.4(4) . . . . ?
O12 C39 C44 C47 71.9(3) . . . . ?
C38 C39 C44 C47 -107.0(3) . . . . ?
Sr3 O13 C48 C49 -42.4(3) . . . . ?
Sr2 O13 C48 C49 -177.46(16) . . . . ?
Sr1 O13 C48 C49 70.7(3) . . . . ?
Sr3 O13 C48 C52 -160.19(18) . . . . ?
Sr2 O13 C48 C52 64.7(3) . . . . ?
Sr1 O13 C48 C52 -47.1(3) . . . . ?
Sr3 O13 C48 C53 78.3(2) . . . . ?
Sr2 O13 C48 C53 -56.8(3) . . . . ?
Sr1 O13 C48 C53 -168.56(16) . . . . ?
C50 O14 C49 C48 -176.7(2) . . . . ?
Sr3 O14 C49 C48 -45.2(2) . . . . ?
O13 C48 C49 O14 57.4(3) . . . . ?
C52 C48 C49 O14 176.9(2) . . . . ?
C53 C48 C49 O14 -63.0(3) . . . . ?
C49 O14 C50 C51 -172.6(2) . . . . ?
Sr3 O14 C50 C51 57.6(3) . . . . ?
C54 O15 C51 C50 -179.9(3) . . . . ?
Sr3 O15 C51 C50 36.1(3) . . . . ?
O14 C50 C51 O15 -59.8(3) . . . . ?
C55 C56 C57 C57 175.3(6) . . . 2_677 ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        28.33
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         1.108
_refine_diff_density_min         -1.279
_refine_diff_density_rms         0.098
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Hygroscopic'
####################################################################### 
# 
# 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_20140409lt_0m
_database_code_depnum_ccdc_archive 'CCDC 1034387'
_audit_update_record             
;
2014-11-17 deposited with the CCDC.
2015-06-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        '[Sr(dmaeeamp)[(tmhd)]2'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H84 N4 O6 Sr2'
_chemical_formula_weight         916.37

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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   10.6303(2)
_cell_length_b                   22.0103(4)
_cell_length_c                   11.6362(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.867(1)
_cell_angle_gamma                90.00
_cell_volume                     2508.62(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    9969
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      24.15

_exptl_crystal_description       Block
_exptl_crystal_colour            silver
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.213
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             976
_exptl_absorpt_coefficient_mu    2.169
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7229
_exptl_absorpt_correction_T_max  0.8123
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(1)
_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       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            6241
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0402
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.85
_diffrn_reflns_theta_max         28.31
_reflns_number_total             6241
_reflns_number_gt                4735
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0264P)²+3.7729P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6241
_refine_ls_number_parameters     253
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0370
_refine_ls_wR_factor_ref         0.0861
_refine_ls_wR_factor_gt          0.0758
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.003
_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 0.64210(2) 0.952818(10) 0.10750(2) 0.01524(7) Uani 1 1 d . . .
O1 O 0.82891(18) 0.88122(8) 0.14664(18) 0.0264(4) Uani 1 1 d . . .
O2 O 0.55925(18) 0.84963(8) 0.11155(18) 0.0257(4) Uani 1 1 d . . .
O3 O 0.43597(17) 1.00517(8) 0.09738(15) 0.0183(4) Uani 1 1 d . . .
N1 N 0.8393(2) 1.04001(10) 0.20968(19) 0.0234(5) Uani 1 1 d . . .
N2 N 0.6582(2) 0.99451(9) 0.34210(18) 0.0191(4) Uani 1 1 d . . .
C1 C 0.8447(3) 0.82425(12) 0.1532(2) 0.0238(6) Uani 1 1 d . . .
C2 C 0.7425(3) 0.78217(12) 0.1446(3) 0.0270(6) Uani 1 1 d . . .
H2A H 0.7671 0.7404 0.1537 0.032 Uiso 1 1 calc R . .
C3 C 0.6067(3) 0.79661(11) 0.1237(2) 0.0224(5) Uani 1 1 d . . .
C4 C 0.9896(3) 0.80270(14) 0.1713(3) 0.0362(7) Uani 1 1 d . . .
C5 C 1.0143(3) 0.73523(14) 0.1931(4) 0.0515(10) Uani 1 1 d . . .
H5A H 0.9518 0.7129 0.1205 0.077 Uiso 1 1 calc R . .
H5B H 0.9984 0.7233 0.2674 0.077 Uiso 1 1 calc R . .
H5C H 1.1088 0.7258 0.2054 0.077 Uiso 1 1 calc R . .
C6 C 1.0138(5) 0.8236(2) 0.0580(5) 0.0820(16) Uani 1 1 d . . .
H6A H 0.9499 0.8029 -0.0163 0.123 Uiso 1 1 calc R . .
H6B H 1.1077 0.8140 0.0687 0.123 Uiso 1 1 calc R . .
H6C H 0.9995 0.8676 0.0480 0.123 Uiso 1 1 calc R . .
C7 C 1.0917(3) 0.83578(17) 0.2869(5) 0.0701(14) Uani 1 1 d . . .
H7A H 1.1849 0.8230 0.3010 0.105 Uiso 1 1 calc R . .
H7B H 1.0719 0.8256 0.3601 0.105 Uiso 1 1 calc R . .
H7C H 1.0833 0.8798 0.2729 0.105 Uiso 1 1 calc R . .
C8 C 0.5062(3) 0.74522(12) 0.1205(3) 0.0333(7) Uani 1 1 d . . .
C9 C 0.5321(3) 0.68635(13) 0.0660(3) 0.0331(7) Uani 1 1 d . . .
H9A H 0.6230 0.6710 0.1179 0.050 Uiso 1 1 calc R . .
H9B H 0.5268 0.6936 -0.0188 0.050 Uiso 1 1 calc R . .
H9C H 0.4631 0.6563 0.0636 0.050 Uiso 1 1 calc R . .
C10 C 0.5207(7) 0.7347(2) 0.2528(5) 0.107(2) Uani 1 1 d . . .
H10A H 0.6145 0.7222 0.3034 0.161 Uiso 1 1 calc R . .
H10B H 0.4573 0.7028 0.2545 0.161 Uiso 1 1 calc R . .
H10C H 0.4998 0.7724 0.2867 0.161 Uiso 1 1 calc R . .
C11 C 0.3613(4) 0.76527(17) 0.0354(6) 0.095(2) Uani 1 1 d . . .
H11A H 0.2962 0.7332 0.0323 0.142 Uiso 1 1 calc R . .
H11B H 0.3577 0.7729 -0.0488 0.142 Uiso 1 1 calc R . .
H11C H 0.3377 0.8026 0.0685 0.142 Uiso 1 1 calc R . .
C12 C 0.8032(3) 1.07464(12) 0.3004(2) 0.0261(6) Uani 1 1 d . . .
H12A H 0.7201 1.0988 0.2548 0.031 Uiso 1 1 calc R . .
H12B H 0.8781 1.1034 0.3444 0.031 Uiso 1 1 calc R . .
C13 C 0.7776(3) 1.03549(12) 0.3961(2) 0.0234(6) Uani 1 1 d . . .
H13A H 0.8599 1.0106 0.4404 0.028 Uiso 1 1 calc R . .
H13B H 0.7633 1.0622 0.4583 0.028 Uiso 1 1 calc R . .
C14 C 0.5311(3) 1.02974(12) 0.3157(2) 0.0218(5) Uani 1 1 d . . .
H14A H 0.5487 1.0726 0.3007 0.026 Uiso 1 1 calc R . .
H14B H 0.5091 1.0289 0.3909 0.026 Uiso 1 1 calc R . .
C15 C 0.4049(3) 1.00751(12) 0.2037(2) 0.0199(5) Uani 1 1 d . . .
C16 C 0.8411(4) 1.08106(14) 0.1110(3) 0.0396(8) Uani 1 1 d . . .
H16A H 0.9114 1.1122 0.1472 0.059 Uiso 1 1 calc R . .
H16B H 0.7517 1.1006 0.0713 0.059 Uiso 1 1 calc R . .
H16C H 0.8615 1.0578 0.0485 0.059 Uiso 1 1 calc R . .
C17 C 0.9744(3) 1.01185(15) 0.2693(3) 0.0330(7) Uani 1 1 d . . .
H17A H 1.0433 1.0436 0.3052 0.050 Uiso 1 1 calc R . .
H17B H 0.9957 0.9889 0.2070 0.050 Uiso 1 1 calc R . .
H17C H 0.9744 0.9843 0.3355 0.050 Uiso 1 1 calc R . .
C18 C 0.6720(3) 0.94529(13) 0.4336(2) 0.0266(6) Uani 1 1 d . . .
H18A H 0.5809 0.9273 0.4157 0.032 Uiso 1 1 calc R . .
H18B H 0.7048 0.9631 0.5184 0.032 Uiso 1 1 calc R . .
C19 C 0.7695(3) 0.89520(13) 0.4316(3) 0.0311(6) Uani 1 1 d . . .
H19A H 0.7740 0.8642 0.4936 0.047 Uiso 1 1 calc R . .
H19B H 0.8606 0.9124 0.4515 0.047 Uiso 1 1 calc R . .
H19C H 0.7367 0.8767 0.3485 0.047 Uiso 1 1 calc R . .
C20 C 0.2914(3) 1.05464(13) 0.1842(2) 0.0284(6) Uani 1 1 d . . .
H20A H 0.2522 1.0485 0.2469 0.043 Uiso 1 1 calc R . .
H20B H 0.2199 1.0498 0.1006 0.043 Uiso 1 1 calc R . .
H20C H 0.3299 1.0957 0.1927 0.043 Uiso 1 1 calc R . .
C21 C 0.3543(3) 0.94563(13) 0.2278(3) 0.0256(6) Uani 1 1 d . . .
H21A H 0.414(3) 0.9123(15) 0.229(3) 0.038 Uiso 1 1 d . . .
H21B H 0.268(3) 0.9354(14) 0.162(3) 0.038 Uiso 1 1 d . . .
H21C H 0.340(3) 0.9436(14) 0.310(3) 0.038 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 O3 2.3854(16) 3_675 ?
Sr1 O1 2.4354(18) . ?
Sr1 O3 2.4377(17) . ?
Sr1 O2 2.4430(17) . ?
Sr1 N1 2.748(2) . ?
Sr1 N2 2.821(2) . ?
Sr1 C15 3.354(2) . ?
Sr1 Sr1 3.7183(4) 3_675 ?
O1 C1 1.263(3) . ?
O2 C3 1.257(3) . ?
O3 C15 1.400(3) . ?
O3 Sr1 2.3853(16) 3_675 ?
N1 C16 1.467(3) . ?
N1 C17 1.468(4) . ?
N1 C12 1.469(3) . ?
N2 C14 1.483(3) . ?
N2 C13 1.483(3) . ?
N2 C18 1.486(3) . ?
C1 C2 1.401(4) . ?
C1 C4 1.546(4) . ?
C2 C3 1.404(4) . ?
C2 H2A 0.9500 . ?
C3 C8 1.546(4) . ?
C4 C6 1.510(5) . ?
C4 C5 1.512(4) . ?
C4 C7 1.544(5) . ?
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 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C10 1.504(5) . ?
C8 C9 1.514(4) . ?
C8 C11 1.537(5) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.514(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.542(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C21 1.530(4) . ?
C15 C20 1.540(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.519(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.97(3) . ?
C21 H21B 0.97(3) . ?
C21 H21C 1.03(3) . ?

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
O3 Sr1 O1 112.30(6) 3_675 . ?
O3 Sr1 O3 79.13(6) 3_675 . ?
O1 Sr1 O3 165.28(6) . . ?
O3 Sr1 O2 113.06(6) 3_675 . ?
O1 Sr1 O2 70.66(6) . . ?
O3 Sr1 O2 96.68(6) . . ?
O3 Sr1 N1 94.15(6) 3_675 . ?
O1 Sr1 N1 86.65(6) . . ?
O3 Sr1 N1 102.18(6) . . ?
O2 Sr1 N1 149.41(6) . . ?
O3 Sr1 N2 135.05(6) 3_675 . ?
O1 Sr1 N2 106.92(6) . . ?
O3 Sr1 N2 66.95(6) . . ?
O2 Sr1 N2 99.81(6) . . ?
N1 Sr1 N2 66.74(6) . . ?
O3 Sr1 C15 100.35(6) 3_675 . ?
O1 Sr1 C15 146.49(6) . . ?
O3 Sr1 C15 21.31(6) . . ?
O2 Sr1 C15 90.22(6) . . ?
N1 Sr1 C15 98.68(6) . . ?
N2 Sr1 C15 48.04(6) . . ?
O3 Sr1 Sr1 40.08(4) 3_675 3_675 ?
O1 Sr1 Sr1 151.35(5) . 3_675 ?
O3 Sr1 Sr1 39.05(4) . 3_675 ?
O2 Sr1 Sr1 109.12(4) . 3_675 ?
N1 Sr1 Sr1 100.64(5) . 3_675 ?
N2 Sr1 Sr1 101.38(4) . 3_675 ?
C15 Sr1 Sr1 60.29(4) . 3_675 ?
C1 O1 Sr1 137.12(17) . . ?
C3 O2 Sr1 137.15(17) . . ?
C15 O3 Sr1 139.37(14) . 3_675 ?
C15 O3 Sr1 119.42(14) . . ?
Sr1 O3 Sr1 100.87(6) 3_675 . ?
C16 N1 C17 108.8(2) . . ?
C16 N1 C12 109.2(2) . . ?
C17 N1 C12 111.1(2) . . ?
C16 N1 Sr1 109.35(16) . . ?
C17 N1 Sr1 110.58(16) . . ?
C12 N1 Sr1 107.76(15) . . ?
C14 N2 C13 109.3(2) . . ?
C14 N2 C18 111.0(2) . . ?
C13 N2 C18 108.06(19) . . ?
C14 N2 Sr1 105.17(13) . . ?
C13 N2 Sr1 109.13(14) . . ?
C18 N2 Sr1 114.10(15) . . ?
O1 C1 C2 124.8(2) . . ?
O1 C1 C4 114.5(2) . . ?
C2 C1 C4 120.7(2) . . ?
C1 C2 C3 125.4(2) . . ?
C1 C2 H2A 117.3 . . ?
C3 C2 H2A 117.3 . . ?
O2 C3 C2 124.8(2) . . ?
O2 C3 C8 115.7(2) . . ?
C2 C3 C8 119.5(2) . . ?
C6 C4 C5 111.6(3) . . ?
C6 C4 C7 108.4(3) . . ?
C5 C4 C7 107.4(3) . . ?
C6 C4 C1 106.6(3) . . ?
C5 C4 C1 115.1(2) . . ?
C7 C4 C1 107.5(3) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C10 C8 C9 109.5(3) . . ?
C10 C8 C11 112.4(4) . . ?
C9 C8 C11 106.0(3) . . ?
C10 C8 C3 107.0(3) . . ?
C9 C8 C3 113.6(2) . . ?
C11 C8 C3 108.4(3) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 C13 113.9(2) . . ?
N1 C12 H12A 108.8 . . ?
C13 C12 H12A 108.8 . . ?
N1 C12 H12B 108.8 . . ?
C13 C12 H12B 108.8 . . ?
H12A C12 H12B 107.7 . . ?
N2 C13 C12 113.8(2) . . ?
N2 C13 H13A 108.8 . . ?
C12 C13 H13A 108.8 . . ?
N2 C13 H13B 108.8 . . ?
C12 C13 H13B 108.8 . . ?
H13A C13 H13B 107.7 . . ?
N2 C14 C15 115.6(2) . . ?
N2 C14 H14A 108.4 . . ?
C15 C14 H14A 108.4 . . ?
N2 C14 H14B 108.4 . . ?
C15 C14 H14B 108.4 . . ?
H14A C14 H14B 107.4 . . ?
O3 C15 C21 110.5(2) . . ?
O3 C15 C20 109.6(2) . . ?
C21 C15 C20 108.4(2) . . ?
O3 C15 C14 109.4(2) . . ?
C21 C15 C14 112.3(2) . . ?
C20 C15 C14 106.5(2) . . ?
O3 C15 Sr1 39.27(10) . . ?
C21 C15 Sr1 96.04(15) . . ?
C20 C15 Sr1 147.18(16) . . ?
C14 C15 Sr1 82.88(13) . . ?
N1 C16 H16A 109.5 . . ?
N1 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N1 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N1 C17 H17A 109.5 . . ?
N1 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
N1 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 C19 113.3(2) . . ?
N2 C18 H18A 108.9 . . ?
C19 C18 H18A 108.9 . . ?
N2 C18 H18B 108.9 . . ?
C19 C18 H18B 108.9 . . ?
H18A C18 H18B 107.7 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C15 C21 H21A 113.5(19) . . ?
C15 C21 H21B 111.0(19) . . ?
H21A C21 H21B 105(3) . . ?
C15 C21 H21C 113.6(17) . . ?
H21A C21 H21C 107(2) . . ?
H21B C21 H21C 107(3) . . ?

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
O3 Sr1 O1 C1 -104.1(3) 3_675 . . . ?
O3 Sr1 O1 C1 35.3(4) . . . . ?
O2 Sr1 O1 C1 3.7(2) . . . . ?
N1 Sr1 O1 C1 162.8(3) . . . . ?
N2 Sr1 O1 C1 98.4(3) . . . . ?
C15 Sr1 O1 C1 62.1(3) . . . . ?
Sr1 Sr1 O1 C1 -91.0(3) 3_675 . . . ?
O3 Sr1 O2 C3 104.2(3) 3_675 . . . ?
O1 Sr1 O2 C3 -2.5(2) . . . . ?
O3 Sr1 O2 C3 -174.8(2) . . . . ?
N1 Sr1 O2 C3 -46.8(3) . . . . ?
N2 Sr1 O2 C3 -107.1(3) . . . . ?
C15 Sr1 O2 C3 -154.4(3) . . . . ?
Sr1 Sr1 O2 C3 147.1(2) 3_675 . . . ?
O3 Sr1 O3 C15 -174.56(19) 3_675 . . . ?
O1 Sr1 O3 C15 43.3(3) . . . . ?
O2 Sr1 O3 C15 73.16(17) . . . . ?
N1 Sr1 O3 C15 -82.62(17) . . . . ?
N2 Sr1 O3 C15 -24.69(16) . . . . ?
Sr1 Sr1 O3 C15 -174.57(19) 3_675 . . . ?
O3 Sr1 O3 Sr1 0.0 3_675 . . 3_675 ?
O1 Sr1 O3 Sr1 -142.2(2) . . . 3_675 ?
O2 Sr1 O3 Sr1 -112.28(7) . . . 3_675 ?
N1 Sr1 O3 Sr1 91.94(7) . . . 3_675 ?
N2 Sr1 O3 Sr1 149.87(8) . . . 3_675 ?
C15 Sr1 O3 Sr1 174.57(19) . . . 3_675 ?
O3 Sr1 N1 C16 -3.2(2) 3_675 . . . ?
O1 Sr1 N1 C16 109.0(2) . . . . ?
O3 Sr1 N1 C16 -82.92(19) . . . . ?
O2 Sr1 N1 C16 150.28(19) . . . . ?
N2 Sr1 N1 C16 -141.0(2) . . . . ?
C15 Sr1 N1 C16 -104.30(19) . . . . ?
Sr1 Sr1 N1 C16 -43.08(19) 3_675 . . . ?
O3 Sr1 N1 C17 -122.90(16) 3_675 . . . ?
O1 Sr1 N1 C17 -10.75(16) . . . . ?
O3 Sr1 N1 C17 157.35(16) . . . . ?
O2 Sr1 N1 C17 30.5(2) . . . . ?
N2 Sr1 N1 C17 99.28(17) . . . . ?
C15 Sr1 N1 C17 135.96(16) . . . . ?
Sr1 Sr1 N1 C17 -162.81(15) 3_675 . . . ?
O3 Sr1 N1 C12 115.47(16) 3_675 . . . ?
O1 Sr1 N1 C12 -132.39(16) . . . . ?
O3 Sr1 N1 C12 35.71(16) . . . . ?
O2 Sr1 N1 C12 -91.09(19) . . . . ?
N2 Sr1 N1 C12 -22.36(15) . . . . ?
C15 Sr1 N1 C12 14.33(16) . . . . ?
Sr1 Sr1 N1 C12 75.55(15) 3_675 . . . ?
O3 Sr1 N2 C14 38.95(18) 3_675 . . . ?
O1 Sr1 N2 C14 -171.04(14) . . . . ?
O3 Sr1 N2 C14 -5.29(14) . . . . ?
O2 Sr1 N2 C14 -98.42(15) . . . . ?
N1 Sr1 N2 C14 110.34(16) . . . . ?
C15 Sr1 N2 C14 -17.07(13) . . . . ?
Sr1 Sr1 N2 C14 13.53(15) 3_675 . . . ?
O3 Sr1 N2 C13 -78.21(17) 3_675 . . . ?
O1 Sr1 N2 C13 71.80(16) . . . . ?
O3 Sr1 N2 C13 -122.45(16) . . . . ?
O2 Sr1 N2 C13 144.41(15) . . . . ?
N1 Sr1 N2 C13 -6.82(15) . . . . ?
C15 Sr1 N2 C13 -134.23(18) . . . . ?
Sr1 Sr1 N2 C13 -103.63(15) 3_675 . . . ?
O3 Sr1 N2 C18 160.82(15) 3_675 . . . ?
O1 Sr1 N2 C18 -49.17(17) . . . . ?
O3 Sr1 N2 C18 116.58(17) . . . . ?
O2 Sr1 N2 C18 23.44(17) . . . . ?
N1 Sr1 N2 C18 -127.79(17) . . . . ?
C15 Sr1 N2 C18 104.80(18) . . . . ?
Sr1 Sr1 N2 C18 135.40(15) 3_675 . . . ?
Sr1 O1 C1 C2 -4.4(4) . . . . ?
Sr1 O1 C1 C4 175.31(19) . . . . ?
O1 C1 C2 C3 2.1(5) . . . . ?
C4 C1 C2 C3 -177.6(3) . . . . ?
Sr1 O2 C3 C2 2.1(4) . . . . ?
Sr1 O2 C3 C8 179.35(18) . . . . ?
C1 C2 C3 O2 -1.0(5) . . . . ?
C1 C2 C3 C8 -178.2(3) . . . . ?
O1 C1 C4 C6 -61.9(4) . . . . ?
C2 C1 C4 C6 117.8(3) . . . . ?
O1 C1 C4 C5 173.7(3) . . . . ?
C2 C1 C4 C5 -6.5(4) . . . . ?
O1 C1 C4 C7 54.2(3) . . . . ?
C2 C1 C4 C7 -126.1(3) . . . . ?
O2 C3 C8 C10 -90.5(4) . . . . ?
C2 C3 C8 C10 86.8(4) . . . . ?
O2 C3 C8 C9 148.5(3) . . . . ?
C2 C3 C8 C9 -34.2(4) . . . . ?
O2 C3 C8 C11 31.0(4) . . . . ?
C2 C3 C8 C11 -151.7(3) . . . . ?
C16 N1 C12 C13 171.4(2) . . . . ?
C17 N1 C12 C13 -68.6(3) . . . . ?
Sr1 N1 C12 C13 52.7(2) . . . . ?
C14 N2 C13 C12 -78.4(3) . . . . ?
C18 N2 C13 C12 160.7(2) . . . . ?
Sr1 N2 C13 C12 36.1(2) . . . . ?
N1 C12 C13 N2 -64.2(3) . . . . ?
C13 N2 C14 C15 148.8(2) . . . . ?
C18 N2 C14 C15 -92.1(3) . . . . ?
Sr1 N2 C14 C15 31.8(2) . . . . ?
Sr1 O3 C15 C21 114.4(2) 3_675 . . . ?
Sr1 O3 C15 C21 -73.8(2) . . . . ?
Sr1 O3 C15 C20 -4.9(3) 3_675 . . . ?
Sr1 O3 C15 C20 166.84(15) . . . . ?
Sr1 O3 C15 C14 -121.4(2) 3_675 . . . ?
Sr1 O3 C15 C14 50.4(2) . . . . ?
Sr1 O3 C15 Sr1 -171.8(3) 3_675 . . . ?
N2 C14 C15 O3 -54.9(3) . . . . ?
N2 C14 C15 C21 68.1(3) . . . . ?
N2 C14 C15 C20 -173.3(2) . . . . ?
N2 C14 C15 Sr1 -25.52(19) . . . . ?
O3 Sr1 C15 O3 5.43(19) 3_675 . . . ?
O1 Sr1 C15 O3 -161.61(15) . . . . ?
O2 Sr1 C15 O3 -108.08(16) . . . . ?
N1 Sr1 C15 O3 101.29(16) . . . . ?
N2 Sr1 C15 O3 148.87(19) . . . . ?
Sr1 Sr1 C15 O3 3.94(14) 3_675 . . . ?
O3 Sr1 C15 C21 120.66(15) 3_675 . . . ?
O1 Sr1 C15 C21 -46.4(2) . . . . ?
O3 Sr1 C15 C21 115.2(2) . . . . ?
O2 Sr1 C15 C21 7.16(15) . . . . ?
N1 Sr1 C15 C21 -143.47(15) . . . . ?
N2 Sr1 C15 C21 -95.89(16) . . . . ?
Sr1 Sr1 C15 C21 119.18(15) 3_675 . . . ?
O3 Sr1 C15 C20 -17.9(3) 3_675 . . . ?
O1 Sr1 C15 C20 175.1(3) . . . . ?
O3 Sr1 C15 C20 -23.3(3) . . . . ?
O2 Sr1 C15 C20 -131.4(3) . . . . ?
N1 Sr1 C15 C20 78.0(3) . . . . ?
N2 Sr1 C15 C20 125.6(3) . . . . ?
Sr1 Sr1 C15 C20 -19.4(3) 3_675 . . . ?
O3 Sr1 C15 C14 -127.51(13) 3_675 . . . ?
O1 Sr1 C15 C14 65.45(18) . . . . ?
O3 Sr1 C15 C14 -132.9(2) . . . . ?
O2 Sr1 C15 C14 118.98(14) . . . . ?
N1 Sr1 C15 C14 -31.64(14) . . . . ?
N2 Sr1 C15 C14 15.94(12) . . . . ?
Sr1 Sr1 C15 C14 -129.00(14) 3_675 . . . ?
C14 N2 C18 C19 160.1(2) . . . . ?
C13 N2 C18 C19 -80.0(3) . . . . ?
Sr1 N2 C18 C19 41.5(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        28.31
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.874
_refine_diff_density_min         -0.801
_refine_diff_density_rms         0.083
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Hygroscopic'
####################################################################### 
# 
# 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_20140421lt_0m
_database_code_depnum_ccdc_archive 'CCDC 1034388'
_audit_update_record             
;
2014-11-17 deposited with the CCDC.
2015-06-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        '[Sr(dmaemamb)(tmhd)]2'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H84 N4 O6 Sr2'
_chemical_formula_weight         916.37

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           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_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                   9.8488(3)
_cell_length_b                   25.0965(7)
_cell_length_c                   10.1883(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.478(2)
_cell_angle_gamma                90.00
_cell_volume                     2467.88(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    4603
_cell_measurement_theta_min      2.66
_cell_measurement_theta_max      21.97

_exptl_crystal_description       block
_exptl_crystal_colour            silver
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             976
_exptl_absorpt_coefficient_mu    2.205
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8096
_exptl_absorpt_correction_T_max  0.8791
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(1)
_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       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            6133
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0638
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.62
_diffrn_reflns_theta_max         28.36
_reflns_number_total             6133
_reflns_number_gt                4266
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0513P)²+3.7333P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6133
_refine_ls_number_parameters     244
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0852
_refine_ls_R_factor_gt           0.0486
_refine_ls_wR_factor_ref         0.1230
_refine_ls_wR_factor_gt          0.1071
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_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 0.08537(3) 0.936321(12) 0.49036(3) 0.01818(10) Uani 1 1 d . . .
O1 O 0.2397(2) 0.91435(10) 0.7017(2) 0.0255(5) Uani 1 1 d . . .
O2 O 0.2331(2) 0.86074(9) 0.4551(2) 0.0249(5) Uani 1 1 d . . .
O3 O -0.1155(2) 0.97314(9) 0.5695(2) 0.0206(5) Uani 1 1 d . . .
N1 N -0.0803(3) 0.91089(12) 0.2459(3) 0.0265(7) Uani 1 1 d . . .
N2 N -0.1033(3) 0.86045(11) 0.5126(3) 0.0245(6) Uani 1 1 d . . .
C1 C 0.3281(3) 0.87889(13) 0.7449(3) 0.0215(7) Uani 1 1 d . . .
C2 C 0.3749(3) 0.84026(13) 0.6648(3) 0.0222(7) Uani 1 1 d . . .
H2A H 0.4454 0.8167 0.7080 0.027 Uiso 1 1 calc R . .
C3 C 0.3271(3) 0.83324(13) 0.5267(3) 0.0208(7) Uani 1 1 d . . .
C4 C 0.3831(4) 0.87993(15) 0.8978(3) 0.0252(8) Uani 1 1 d . . .
C5 C 0.2605(5) 0.8763(3) 0.9654(5) 0.0709(18) Uani 1 1 d . . .
H5A H 0.2143 0.8419 0.9445 0.106 Uiso 1 1 calc R . .
H5B H 0.1954 0.9051 0.9332 0.106 Uiso 1 1 calc R . .
H5C H 0.2922 0.8795 1.0625 0.106 Uiso 1 1 calc R . .
C6 C 0.4533(6) 0.93447(18) 0.9334(4) 0.0551(13) Uani 1 1 d . . .
H6A H 0.4896 0.9362 1.0301 0.083 Uiso 1 1 calc R . .
H6B H 0.3852 0.9630 0.9073 0.083 Uiso 1 1 calc R . .
H6C H 0.5295 0.9388 0.8854 0.083 Uiso 1 1 calc R . .
C7 C 0.4906(5) 0.83773(18) 0.9495(4) 0.0481(12) Uani 1 1 d . . .
H7A H 0.4496 0.8023 0.9303 0.072 Uiso 1 1 calc R . .
H7B H 0.5219 0.8419 1.0464 0.072 Uiso 1 1 calc R . .
H7C H 0.5696 0.8417 0.9052 0.072 Uiso 1 1 calc R . .
C8 C 0.3865(4) 0.78812(13) 0.4520(3) 0.0231(7) Uani 1 1 d . . .
C9 C 0.4339(4) 0.81303(15) 0.3316(4) 0.0326(9) Uani 1 1 d . . .
H9A H 0.5100 0.8379 0.3632 0.049 Uiso 1 1 calc R . .
H9B H 0.3563 0.8322 0.2764 0.049 Uiso 1 1 calc R . .
H9C H 0.4658 0.7849 0.2782 0.049 Uiso 1 1 calc R . .
C10 C 0.5067(4) 0.75736(14) 0.5358(4) 0.0313(8) Uani 1 1 d . . .
H10A H 0.5837 0.7818 0.5681 0.047 Uiso 1 1 calc R . .
H10B H 0.5373 0.7295 0.4807 0.047 Uiso 1 1 calc R . .
H10C H 0.4765 0.7410 0.6124 0.047 Uiso 1 1 calc R . .
C11 C 0.2672(4) 0.74882(15) 0.4022(4) 0.0338(9) Uani 1 1 d . . .
H11A H 0.3011 0.7195 0.3541 0.051 Uiso 1 1 calc R . .
H11B H 0.1921 0.7674 0.3420 0.051 Uiso 1 1 calc R . .
H11C H 0.2327 0.7346 0.4790 0.051 Uiso 1 1 calc R . .
C12 C -0.1501(4) 0.95824(17) 0.1785(4) 0.0411(10) Uani 1 1 d . . .
H12A H -0.2078 0.9477 0.0926 0.062 Uiso 1 1 calc R . .
H12B H -0.0805 0.9841 0.1629 0.062 Uiso 1 1 calc R . .
H12C H -0.2086 0.9744 0.2351 0.062 Uiso 1 1 calc R . .
C13 C 0.0139(4) 0.88922(16) 0.1650(4) 0.0342(9) Uani 1 1 d . . .
H13A H -0.0389 0.8794 0.0763 0.051 Uiso 1 1 calc R . .
H13B H 0.0606 0.8576 0.2092 0.051 Uiso 1 1 calc R . .
H13C H 0.0832 0.9162 0.1552 0.051 Uiso 1 1 calc R . .
C14 C -0.1870(4) 0.87205(16) 0.2632(4) 0.0369(9) Uani 1 1 d . . .
H14A H -0.2125 0.8507 0.1802 0.044 Uiso 1 1 calc R . .
H14B H -0.2708 0.8915 0.2760 0.044 Uiso 1 1 calc R . .
C15 C -0.1423(4) 0.83493(15) 0.3797(4) 0.0356(9) Uani 1 1 d . . .
H15A H -0.2188 0.8096 0.3823 0.043 Uiso 1 1 calc R . .
H15B H -0.0622 0.8139 0.3633 0.043 Uiso 1 1 calc R . .
C16 C -0.2255(4) 0.88645(15) 0.5507(4) 0.0330(9) Uani 1 1 d . . .
H16A H -0.2674 0.8609 0.6052 0.040 Uiso 1 1 calc R . .
H16B H -0.2948 0.8934 0.4678 0.040 Uiso 1 1 calc R . .
C17 C -0.1978(3) 0.93909(13) 0.6294(3) 0.0213(7) Uani 1 1 d . . .
C18 C -0.0412(4) 0.81992(16) 0.6084(4) 0.0382(10) Uani 1 1 d . . .
H18A H -0.1105 0.7926 0.6157 0.057 Uiso 1 1 calc R . .
H18B H -0.0087 0.8365 0.6962 0.057 Uiso 1 1 calc R . .
H18C H 0.0372 0.8035 0.5779 0.057 Uiso 1 1 calc R . .
C20 C -0.3461(5) 1.01439(17) 0.7078(5) 0.0445(11) Uani 1 1 d . . .
H20A H -0.4421 1.0264 0.6995 0.067 Uiso 1 1 calc R . .
H20B H -0.2922 1.0421 0.6735 0.067 Uiso 1 1 calc R . .
H20C H -0.3058 1.0075 0.8022 0.067 Uiso 1 1 calc R . .
C21 C -0.1256(4) 0.92867(17) 0.7760(4) 0.0390(10) Uani 1 1 d . . .
H21A H -0.1949 0.9282 0.8329 0.059 Uiso 1 1 calc R . .
H21B H -0.0581 0.9570 0.8061 0.059 Uiso 1 1 calc R . .
H21C H -0.0778 0.8942 0.7820 0.059 Uiso 1 1 calc R . .
C19 C -0.3430(4) 0.96292(17) 0.6263(4) 0.0359(9) Uani 1 1 d . . .
H19A H -0.3868 0.9703 0.5320 0.043 Uiso 1 1 calc R . .
H19B H -0.4002 0.9358 0.6603 0.043 Uiso 1 1 calc R . .


_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 O3 2.387(2) 3_576 ?
Sr1 O1 2.439(2) . ?
Sr1 O2 2.460(2) . ?
Sr1 O3 2.460(2) . ?
Sr1 N2 2.701(3) . ?
Sr1 N1 2.767(3) . ?
Sr1 Sr1 3.6350(6) 3_576 ?
O1 C1 1.262(4) . ?
O2 C3 1.264(4) . ?
O3 C17 1.399(4) . ?
O3 Sr1 2.386(2) 3_576 ?
N1 C13 1.464(5) . ?
N1 C14 1.469(5) . ?
N1 C12 1.473(5) . ?
N2 C18 1.457(5) . ?
N2 C15 1.478(5) . ?
N2 C16 1.487(5) . ?
C1 C2 1.403(5) . ?
C1 C4 1.544(5) . ?
C2 C3 1.403(5) . ?
C2 H2A 0.9500 . ?
C3 C8 1.543(5) . ?
C4 C5 1.507(6) . ?
C4 C7 1.516(5) . ?
C4 C6 1.544(6) . ?
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 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 C10 1.525(5) . ?
C8 C9 1.530(5) . ?
C8 C11 1.540(5) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
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 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.504(6) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.542(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C21 1.543(5) . ?
C17 C19 1.545(5) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C20 C19 1.539(6) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?

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
O3 Sr1 O1 110.70(8) 3_576 . ?
O3 Sr1 O2 126.14(8) 3_576 . ?
O1 Sr1 O2 70.83(8) . . ?
O3 Sr1 O3 82.83(8) 3_576 . ?
O1 Sr1 O3 101.32(8) . . ?
O2 Sr1 O3 151.03(8) . . ?
O3 Sr1 N2 144.61(8) 3_576 . ?
O1 Sr1 N2 94.87(9) . . ?
O2 Sr1 N2 84.56(9) . . ?
O3 Sr1 N2 68.03(8) . . ?
O3 Sr1 N1 94.07(8) 3_576 . ?
O1 Sr1 N1 153.49(9) . . ?
O2 Sr1 N1 87.18(8) . . ?
O3 Sr1 N1 90.73(8) . . ?
N2 Sr1 N1 67.69(9) . . ?
O3 Sr1 Sr1 42.18(6) 3_576 3_576 ?
O1 Sr1 Sr1 111.40(6) . 3_576 ?
O2 Sr1 Sr1 168.32(6) . 3_576 ?
O3 Sr1 Sr1 40.64(5) . 3_576 ?
N2 Sr1 Sr1 106.38(6) . 3_576 ?
N1 Sr1 Sr1 93.16(6) . 3_576 ?
C1 O1 Sr1 137.2(2) . . ?
C3 O2 Sr1 136.4(2) . . ?
C17 O3 Sr1 143.7(2) . 3_576 ?
C17 O3 Sr1 119.14(19) . . ?
Sr1 O3 Sr1 97.17(8) 3_576 . ?
C13 N1 C14 111.7(3) . . ?
C13 N1 C12 109.0(3) . . ?
C14 N1 C12 108.2(3) . . ?
C13 N1 Sr1 105.4(2) . . ?
C14 N1 Sr1 110.7(2) . . ?
C12 N1 Sr1 111.8(2) . . ?
C18 N2 C15 108.0(3) . . ?
C18 N2 C16 112.6(3) . . ?
C15 N2 C16 110.7(3) . . ?
C18 N2 Sr1 110.1(2) . . ?
C15 N2 Sr1 106.7(2) . . ?
C16 N2 Sr1 108.6(2) . . ?
O1 C1 C2 124.6(3) . . ?
O1 C1 C4 114.8(3) . . ?
C2 C1 C4 120.6(3) . . ?
C1 C2 C3 125.9(3) . . ?
C1 C2 H2A 117.0 . . ?
C3 C2 H2A 117.0 . . ?
O2 C3 C2 124.8(3) . . ?
O2 C3 C8 115.0(3) . . ?
C2 C3 C8 120.2(3) . . ?
C5 C4 C7 111.5(4) . . ?
C5 C4 C6 108.0(4) . . ?
C7 C4 C6 106.8(3) . . ?
C5 C4 C1 107.9(3) . . ?
C7 C4 C1 114.8(3) . . ?
C6 C4 C1 107.6(3) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C10 C8 C9 109.2(3) . . ?
C10 C8 C11 108.4(3) . . ?
C9 C8 C11 109.4(3) . . ?
C10 C8 C3 115.0(3) . . ?
C9 C8 C3 107.6(3) . . ?
C11 C8 C3 107.1(3) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 H12A 109.5 . . ?
N1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 H13A 109.5 . . ?
N1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
N1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N1 C14 C15 113.7(3) . . ?
N1 C14 H14A 108.8 . . ?
C15 C14 H14A 108.8 . . ?
N1 C14 H14B 108.8 . . ?
C15 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
N2 C15 C14 115.9(3) . . ?
N2 C15 H15A 108.3 . . ?
C14 C15 H15A 108.3 . . ?
N2 C15 H15B 108.3 . . ?
C14 C15 H15B 108.3 . . ?
H15A C15 H15B 107.4 . . ?
N2 C16 C17 116.3(3) . . ?
N2 C16 H16A 108.2 . . ?
C17 C16 H16A 108.2 . . ?
N2 C16 H16B 108.2 . . ?
C17 C16 H16B 108.2 . . ?
H16A C16 H16B 107.4 . . ?
O3 C17 C16 110.7(3) . . ?
O3 C17 C21 109.3(3) . . ?
C16 C17 C21 111.0(3) . . ?
O3 C17 C19 111.6(3) . . ?
C16 C17 C19 104.7(3) . . ?
C21 C17 C19 109.4(3) . . ?
N2 C18 H18A 109.5 . . ?
N2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C19 C17 115.6(3) . . ?
C20 C19 H19A 108.4 . . ?
C17 C19 H19A 108.4 . . ?
C20 C19 H19B 108.4 . . ?
C17 C19 H19B 108.4 . . ?
H19A C19 H19B 107.5 . . ?

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
O3 Sr1 O1 C1 -127.7(3) 3_576 . . . ?
O2 Sr1 O1 C1 -5.3(3) . . . . ?
O3 Sr1 O1 C1 145.7(3) . . . . ?
N2 Sr1 O1 C1 77.2(3) . . . . ?
N1 Sr1 O1 C1 30.2(4) . . . . ?
Sr1 Sr1 O1 C1 -173.1(3) 3_576 . . . ?
O3 Sr1 O2 C3 103.1(3) 3_576 . . . ?
O1 Sr1 O2 C3 1.0(3) . . . . ?
O3 Sr1 O2 C3 -77.5(4) . . . . ?
N2 Sr1 O2 C3 -96.1(3) . . . . ?
N1 Sr1 O2 C3 -163.9(3) . . . . ?
Sr1 Sr1 O2 C3 104.1(4) 3_576 . . . ?
O3 Sr1 O3 C17 -178.8(2) 3_576 . . . ?
O1 Sr1 O3 C17 -69.1(2) . . . . ?
O2 Sr1 O3 C17 1.7(3) . . . . ?
N2 Sr1 O3 C17 21.7(2) . . . . ?
N1 Sr1 O3 C17 87.2(2) . . . . ?
Sr1 Sr1 O3 C17 -178.8(2) 3_576 . . . ?
O3 Sr1 O3 Sr1 0.0 3_576 . . 3_576 ?
O1 Sr1 O3 Sr1 109.76(8) . . . 3_576 ?
O2 Sr1 O3 Sr1 -179.49(12) . . . 3_576 ?
N2 Sr1 O3 Sr1 -159.52(10) . . . 3_576 ?
N1 Sr1 O3 Sr1 -94.01(9) . . . 3_576 ?
O3 Sr1 N1 C13 93.9(2) 3_576 . . . ?
O1 Sr1 N1 C13 -65.5(3) . . . . ?
O2 Sr1 N1 C13 -32.1(2) . . . . ?
O3 Sr1 N1 C13 176.8(2) . . . . ?
N2 Sr1 N1 C13 -117.4(2) . . . . ?
Sr1 Sr1 N1 C13 136.2(2) 3_576 . . . ?
O3 Sr1 N1 C14 -145.1(2) 3_576 . . . ?
O1 Sr1 N1 C14 55.5(3) . . . . ?
O2 Sr1 N1 C14 88.8(2) . . . . ?
O3 Sr1 N1 C14 -62.3(2) . . . . ?
N2 Sr1 N1 C14 3.6(2) . . . . ?
Sr1 Sr1 N1 C14 -102.9(2) 3_576 . . . ?
O3 Sr1 N1 C12 -24.4(3) 3_576 . . . ?
O1 Sr1 N1 C12 176.2(2) . . . . ?
O2 Sr1 N1 C12 -150.5(3) . . . . ?
O3 Sr1 N1 C12 58.4(3) . . . . ?
N2 Sr1 N1 C12 124.3(3) . . . . ?
Sr1 Sr1 N1 C12 17.8(3) 3_576 . . . ?
O3 Sr1 N2 C18 -156.3(2) 3_576 . . . ?
O1 Sr1 N2 C18 -19.2(2) . . . . ?
O2 Sr1 N2 C18 50.9(2) . . . . ?
O3 Sr1 N2 C18 -119.5(3) . . . . ?
N1 Sr1 N2 C18 140.1(3) . . . . ?
Sr1 Sr1 N2 C18 -133.2(2) 3_576 . . . ?
O3 Sr1 N2 C15 86.7(3) 3_576 . . . ?
O1 Sr1 N2 C15 -136.2(2) . . . . ?
O2 Sr1 N2 C15 -66.1(2) . . . . ?
O3 Sr1 N2 C15 123.5(2) . . . . ?
N1 Sr1 N2 C15 23.1(2) . . . . ?
Sr1 Sr1 N2 C15 109.8(2) 3_576 . . . ?
O3 Sr1 N2 C16 -32.6(3) 3_576 . . . ?
O1 Sr1 N2 C16 104.5(2) . . . . ?
O2 Sr1 N2 C16 174.7(2) . . . . ?
O3 Sr1 N2 C16 4.2(2) . . . . ?
N1 Sr1 N2 C16 -96.2(2) . . . . ?
Sr1 Sr1 N2 C16 -9.5(2) 3_576 . . . ?
Sr1 O1 C1 C2 7.3(6) . . . . ?
Sr1 O1 C1 C4 -171.9(2) . . . . ?
O1 C1 C2 C3 -3.2(6) . . . . ?
C4 C1 C2 C3 176.0(3) . . . . ?
Sr1 O2 C3 C2 1.1(5) . . . . ?
Sr1 O2 C3 C8 179.1(2) . . . . ?
C1 C2 C3 O2 -0.9(6) . . . . ?
C1 C2 C3 C8 -178.8(3) . . . . ?
O1 C1 C4 C5 55.7(5) . . . . ?
C2 C1 C4 C5 -123.6(4) . . . . ?
O1 C1 C4 C7 -179.3(3) . . . . ?
C2 C1 C4 C7 1.4(5) . . . . ?
O1 C1 C4 C6 -60.6(4) . . . . ?
C2 C1 C4 C6 120.1(4) . . . . ?
O2 C3 C8 C10 176.0(3) . . . . ?
C2 C3 C8 C10 -6.0(5) . . . . ?
O2 C3 C8 C9 54.1(4) . . . . ?
C2 C3 C8 C9 -127.9(3) . . . . ?
O2 C3 C8 C11 -63.4(4) . . . . ?
C2 C3 C8 C11 114.6(3) . . . . ?
C13 N1 C14 C15 86.5(4) . . . . ?
C12 N1 C14 C15 -153.5(3) . . . . ?
Sr1 N1 C14 C15 -30.7(4) . . . . ?
C18 N2 C15 C14 -170.5(3) . . . . ?
C16 N2 C15 C14 65.8(4) . . . . ?
Sr1 N2 C15 C14 -52.1(4) . . . . ?
N1 C14 C15 N2 59.8(5) . . . . ?
C18 N2 C16 C17 95.0(4) . . . . ?
C15 N2 C16 C17 -144.0(3) . . . . ?
Sr1 N2 C16 C17 -27.3(4) . . . . ?
Sr1 O3 C17 C16 138.6(3) 3_576 . . . ?
Sr1 O3 C17 C16 -43.3(3) . . . . ?
Sr1 O3 C17 C21 -98.8(4) 3_576 . . . ?
Sr1 O3 C17 C21 79.3(3) . . . . ?
Sr1 O3 C17 C19 22.4(5) 3_576 . . . ?
Sr1 O3 C17 C19 -159.6(2) . . . . ?
N2 C16 C17 O3 47.0(4) . . . . ?
N2 C16 C17 C21 -74.6(4) . . . . ?
N2 C16 C17 C19 167.4(3) . . . . ?
O3 C17 C19 C20 -64.5(4) . . . . ?
C16 C17 C19 C20 175.6(3) . . . . ?
C21 C17 C19 C20 56.6(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        28.36
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         1.090
_refine_diff_density_min         -0.595
_refine_diff_density_rms         0.101
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Hygroscopic'
####################################################################### 
# 
# 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_20130724LT_0m
_database_code_depnum_ccdc_archive 'CCDC 1034389'
_audit_update_record             
;
2015-04-02 deposited with the CCDC.
2015-06-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        '[Sr(dmaemamp)(tmpd)]2'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H80 N4 O6 Sr2'
_chemical_formula_weight         888.32

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.7509(4)
_cell_length_b                   15.1148(6)
_cell_length_c                   16.3750(7)
_cell_angle_alpha                93.525(2)
_cell_angle_beta                 105.381(2)
_cell_angle_gamma                108.420(2)
_cell_volume                     2403.25(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9923
_cell_measurement_theta_min      2.67
_cell_measurement_theta_max      27.97

_exptl_crystal_description       Block
_exptl_crystal_colour            silver
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.228
_exptl_crystal_F_000             944
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    2.262
_shelx_estimated_absorpt_T_min   0.602
_shelx_estimated_absorpt_T_max   0.636
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6016
_exptl_absorpt_correction_T_max  0.6360
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            62066
_diffrn_reflns_av_unetI/netI     0.0495
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.438
_diffrn_reflns_theta_max         28.386
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             11941
_reflns_number_gt                9377
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0715P)²+5.7314P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11941
_refine_ls_number_parameters     545
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0820
_refine_ls_R_factor_gt           0.0612
_refine_ls_wR_factor_ref         0.1688
_refine_ls_wR_factor_gt          0.1602
_refine_ls_goodness_of_fit_ref   1.225
_refine_ls_restrained_S_all      1.225
_refine_ls_shift/su_max          0.001
_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_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 0.37734(4) 0.92144(2) 0.04797(2) 0.01471(10) Uani 1 1 d . . . . .
O1 O 0.1653(3) 0.8009(2) 0.0564(2) 0.0258(7) Uani 1 1 d . . . . .
O2 O 0.3992(3) 0.7658(2) 0.0286(2) 0.0218(6) Uani 1 1 d . . . . .
O11 O 0.6197(3) 1.0173(2) 0.08222(18) 0.0182(6) Uani 1 1 d . . . . .
N2 N 0.5078(4) 0.9650(3) 0.2187(2) 0.0321(9) Uani 1 1 d . . . . .
C1 C 0.1157(4) 0.7118(3) 0.0404(3) 0.0230(9) Uani 1 1 d . . . . .
C2 C 0.1866(4) 0.6523(3) 0.0252(3) 0.0227(9) Uani 1 1 d . . . . .
H2 H 0.1394 0.5862 0.0179 0.027 Uiso 1 1 calc R U . . .
C3 C 0.3207(4) 0.6815(3) 0.0198(3) 0.0185(8) Uani 1 1 d . . . . .
C4 C -0.0342(5) 0.6670(3) 0.0372(4) 0.0335(12) Uani 1 1 d . . . . .
H4 H -0.0636 0.5972 0.0191 0.040 Uiso 1 1 calc R U . . .
C5 C -0.1239(6) 0.7062(5) -0.0284(4) 0.0517(16) Uani 1 1 d . . . . .
H5A H -0.2210 0.6716 -0.0354 0.078 Uiso 1 1 calc R U . . .
H5B H -0.1059 0.6990 -0.0835 0.078 Uiso 1 1 calc R U . . .
H5C H -0.1026 0.7733 -0.0083 0.078 Uiso 1 1 calc R U . . .
C6 C -0.0508(6) 0.6848(6) 0.1245(5) 0.0607(19) Uani 1 1 d . . . . .
H6A H 0.0052 0.6574 0.1654 0.091 Uiso 1 1 calc R U . . .
H6B H -0.1476 0.6557 0.1215 0.091 Uiso 1 1 calc R U . . .
H6C H -0.0208 0.7530 0.1434 0.091 Uiso 1 1 calc R U . . .
C7 C 0.3760(5) 0.6052(3) -0.0044(3) 0.0220(9) Uani 1 1 d . . . . .
H7 H 0.3333 0.5470 0.0185 0.026 Uiso 1 1 calc R U . . .
C8 C 0.5310(5) 0.6361(3) 0.0330(4) 0.0315(11) Uani 1 1 d . . . . .
H8A H 0.5740 0.6952 0.0139 0.047 Uiso 1 1 calc R U . . .
H8B H 0.5631 0.5871 0.0135 0.047 Uiso 1 1 calc R U . . .
H8C H 0.5560 0.6459 0.0958 0.047 Uiso 1 1 calc R U . . .
C9 C 0.3334(7) 0.5822(4) -0.1020(3) 0.0433(14) Uani 1 1 d . . . . .
H9A H 0.3695 0.6397 -0.1255 0.065 Uiso 1 1 calc R U . . .
H9B H 0.2328 0.5575 -0.1247 0.065 Uiso 1 1 calc R U . . .
H9C H 0.3703 0.5347 -0.1185 0.065 Uiso 1 1 calc R U . . .
N11 N 0.2862(6) 1.0392(4) 0.1318(4) 0.0493(13) Uani 0.583(11) 1 d . . P A 1
C111 C 0.329(2) 1.1265(17) 0.1152(14) 0.051(5) Uani 0.583(11) 1 d . . P A 1
H11A H 0.2884 1.1268 0.0541 0.076 Uiso 0.583(11) 1 calc R U P A 1
H11B H 0.4290 1.1501 0.1298 0.076 Uiso 0.583(11) 1 calc R U P A 1
H11C H 0.2996 1.1671 0.1495 0.076 Uiso 0.583(11) 1 calc R U P A 1
C121 C 0.1646(11) 1.0008(10) 0.1492(10) 0.070(5) Uani 0.583(11) 1 d . . P A 1
H12A H 0.1432 1.0507 0.1776 0.105 Uiso 0.583(11) 1 calc R U P A 1
H12B H 0.1722 0.9537 0.1870 0.105 Uiso 0.583(11) 1 calc R U P A 1
H12C H 0.0911 0.9704 0.0955 0.105 Uiso 0.583(11) 1 calc R U P A 1
C131 C 0.4051(9) 1.0813(6) 0.2248(6) 0.035(2) Uani 0.583(11) 1 d . . P A 1
H13A H 0.4881 1.1268 0.2162 0.042 Uiso 0.583(11) 1 calc R U P A 1
H13B H 0.3715 1.1156 0.2626 0.042 Uiso 0.583(11) 1 calc R U P A 1
C141 C 0.4386(6) 1.0126(5) 0.2632(4) 0.0514(17) Uani 0.583(11) 1 d . . P A 1
H14A H 0.3539 0.9648 0.2675 0.062 Uiso 0.583(11) 1 calc R U P A 1
H14B H 0.4995 1.0400 0.3223 0.062 Uiso 0.583(11) 1 calc R U P A 1
N12 N 0.2862(6) 1.0392(4) 0.1318(4) 0.0493(13) Uani 0.417(11) 1 d . . P A 2
C112 C 0.303(5) 1.133(3) 0.091(2) 0.076(11) Uani 0.417(11) 1 d . . P A 2
H11D H 0.2979 1.1816 0.1304 0.114 Uiso 0.417(11) 1 calc R U P A 2
H11E H 0.2299 1.1199 0.0366 0.114 Uiso 0.417(11) 1 calc R U P A 2
H11F H 0.3927 1.1541 0.0801 0.114 Uiso 0.417(11) 1 calc R U P A 2
C122 C 0.1187(12) 1.0036(9) 0.0770(9) 0.033(3) Uani 0.417(11) 1 d . . P A 2
H12D H 0.0793 0.9345 0.0697 0.049 Uiso 0.417(11) 1 calc R U P A 2
H12E H 0.1078 1.0237 0.0206 0.049 Uiso 0.417(11) 1 calc R U P A 2
H12F H 0.0711 1.0316 0.1087 0.049 Uiso 0.417(11) 1 calc R U P A 2
C132 C 0.2846(14) 1.0042(10) 0.2074(8) 0.038(4) Uani 0.417(11) 1 d . . P A 2
H13C H 0.2238 0.9372 0.1945 0.045 Uiso 0.417(11) 1 calc R U P A 2
H13D H 0.2472 1.0399 0.2413 0.045 Uiso 0.417(11) 1 calc R U P A 2
C142 C 0.4386(6) 1.0126(5) 0.2632(4) 0.0514(17) Uani 0.417(11) 1 d . . P A 2
H14C H 0.4958 1.0803 0.2803 0.062 Uiso 0.417(11) 1 calc R U P A 2
H14D H 0.4333 0.9856 0.3163 0.062 Uiso 0.417(11) 1 calc R U P A 2
C15 C 0.4930(7) 0.8724(4) 0.2445(4) 0.0493(16) Uani 1 1 d . . . . .
H15A H 0.5391 0.8407 0.2148 0.074 Uiso 1 1 calc R U . . .
H15B H 0.5347 0.8801 0.3066 0.074 Uiso 1 1 calc R U . . .
H15C H 0.3952 0.8342 0.2293 0.074 Uiso 1 1 calc R U . . .
C16 C 0.6541(5) 1.0253(3) 0.2344(3) 0.0277(10) Uani 1 1 d . . . . .
H16A H 0.7111 1.0096 0.2856 0.033 Uiso 1 1 calc R U . . .
H16B H 0.6627 1.0922 0.2476 0.033 Uiso 1 1 calc R U . . .
C17 C 0.7129(4) 1.0154(3) 0.1592(3) 0.0219(9) Uani 1 1 d . . . . .
C18 C 0.8478(5) 1.1015(4) 0.1768(3) 0.0318(11) Uani 1 1 d . . . . .
H18A H 0.9108 1.1011 0.2331 0.038 Uiso 1 1 calc R U . . .
H18B H 0.8924 1.0931 0.1326 0.038 Uiso 1 1 calc R U . . .
C19 C 0.8317(6) 1.1984(3) 0.1773(3) 0.0397(13) Uani 1 1 d . . . . .
H19A H 0.7504 1.1946 0.1306 0.060 Uiso 1 1 calc R U . . .
H19B H 0.9135 1.2444 0.1694 0.060 Uiso 1 1 calc R U . . .
H19C H 0.8207 1.2182 0.2323 0.060 Uiso 1 1 calc R U . . .
C20 C 0.7454(5) 0.9239(4) 0.1496(3) 0.0299(10) Uani 1 1 d . . . . .
H20A H 0.6572 0.8703 0.1318 0.036 Uiso 1 1 calc R U . . .
H20B H 0.7866 0.9252 0.1022 0.036 Uiso 1 1 calc R U . . .
C21 C 0.8408(7) 0.9031(4) 0.2278(4) 0.0501(16) Uani 1 1 d . . . . .
H21A H 0.9308 0.9536 0.2449 0.075 Uiso 1 1 calc R U . . .
H21B H 0.8516 0.8427 0.2132 0.075 Uiso 1 1 calc R U . . .
H21C H 0.8010 0.8998 0.2754 0.075 Uiso 1 1 calc R U . . .
Sr11 Sr 0.41422(4) 0.58262(2) 0.45599(2) 0.01609(11) Uani 1 1 d . . . . .
O21 O 0.5945(3) 0.7384(2) 0.4991(2) 0.0268(7) Uani 1 1 d . . . . .
O22 O 0.3039(3) 0.7031(2) 0.4520(2) 0.0282(7) Uani 1 1 d . . . . .
O31 O 0.5565(3) 0.4961(2) 0.42312(18) 0.0183(6) Uani 1 1 d . . . . .
C31 C 0.5987(4) 0.8220(3) 0.5161(3) 0.0204(8) Uani 1 1 d . . . . .
C32 C 0.4847(5) 0.8503(3) 0.5071(3) 0.0220(9) Uani 1 1 d . . . . .
H32 H 0.5025 0.9156 0.5233 0.026 Uiso 1 1 calc R U . . .
C33 C 0.3466(5) 0.7915(3) 0.4766(3) 0.0238(9) Uani 1 1 d . . . . .
C34 C 0.7421(5) 0.8972(3) 0.5478(3) 0.0264(10) Uani 1 1 d . . . . .
H34 H 0.7355 0.9549 0.5770 0.032 Uiso 1 1 calc R U . . .
C35 C 0.7919(6) 0.9226(4) 0.4710(4) 0.0428(13) Uani 1 1 d . . . . .
H35A H 0.8809 0.9742 0.4902 0.064 Uiso 1 1 calc R U . . .
H35B H 0.7250 0.9428 0.4305 0.064 Uiso 1 1 calc R U . . .
H35C H 0.8020 0.8674 0.4427 0.064 Uiso 1 1 calc R U . . .
C36 C 0.8423(6) 0.8645(4) 0.6112(4) 0.0414(13) Uani 1 1 d . . . . .
H36A H 0.8518 0.8088 0.5832 0.062 Uiso 1 1 calc R U . . .
H36B H 0.8080 0.8482 0.6600 0.062 Uiso 1 1 calc R U . . .
H36C H 0.9321 0.9152 0.6315 0.062 Uiso 1 1 calc R U . . .
C37 C 0.2368(5) 0.8367(3) 0.4717(4) 0.0355(12) Uani 1 1 d . . . . .
H37 H 0.2836 0.9050 0.4969 0.043 Uiso 1 1 calc R U . . .
C38 C 0.1568(6) 0.8295(4) 0.3781(4) 0.0465(15) Uani 1 1 d . . . . .
H38A H 0.2194 0.8638 0.3476 0.070 Uiso 1 1 calc R U . . .
H38B H 0.0849 0.8572 0.3750 0.070 Uiso 1 1 calc R U . . .
H38C H 0.1145 0.7630 0.3514 0.070 Uiso 1 1 calc R U . . .
C39 C 0.1423(7) 0.7905(5) 0.5228(5) 0.0531(17) Uani 1 1 d . . . . .
H39A H 0.0930 0.7239 0.4975 0.080 Uiso 1 1 calc R U . . .
H39B H 0.0761 0.8228 0.5216 0.080 Uiso 1 1 calc R U . . .
H39C H 0.1968 0.7949 0.5822 0.080 Uiso 1 1 calc R U . . .
N111 N 0.1557(4) 0.4729(3) 0.3593(3) 0.0321(9) Uani 0.577(10) 1 d . . P B 1
C411 C 0.0532(9) 0.4898(8) 0.4024(8) 0.046(3) Uani 0.577(10) 1 d . . P B 1
H41A H 0.0655 0.5572 0.4093 0.068 Uiso 0.577(10) 1 calc R U P B 1
H41B H 0.0694 0.4697 0.4589 0.068 Uiso 0.577(10) 1 calc R U P B 1
H41C H -0.0407 0.4535 0.3668 0.068 Uiso 0.577(10) 1 calc R U P B 1
C421 C 0.1524(11) 0.3755(7) 0.3680(7) 0.033(2) Uani 0.577(10) 1 d . . P B 1
H42A H 0.0646 0.3305 0.3312 0.050 Uiso 0.577(10) 1 calc R U P B 1
H42B H 0.1627 0.3664 0.4278 0.050 Uiso 0.577(10) 1 calc R U P B 1
H42C H 0.2279 0.3650 0.3508 0.050 Uiso 0.577(10) 1 calc R U P B 1
C431 C 0.1336(9) 0.4983(7) 0.2793(6) 0.034(2) Uani 0.577(10) 1 d . . P B 1
H43A H 0.1272 0.5622 0.2841 0.041 Uiso 0.577(10) 1 calc R U P B 1
H43B H 0.0435 0.4544 0.2423 0.041 Uiso 0.577(10) 1 calc R U P B 1
C441 C 0.2427(6) 0.4992(6) 0.2339(4) 0.0538(18) Uani 0.577(10) 1 d . . P B 1
H44A H 0.2333 0.4330 0.2161 0.065 Uiso 0.577(10) 1 calc R U P B 1
H44B H 0.2226 0.5275 0.1812 0.065 Uiso 0.577(10) 1 calc R U P B 1
N112 N 0.1557(4) 0.4729(3) 0.3593(3) 0.0321(9) Uani 0.423(10) 1 d . . P B 2
C412 C 0.0540(12) 0.5228(10) 0.3351(9) 0.039(4) Uani 0.423(10) 1 d . . P B 2
H41D H -0.0285 0.4811 0.2907 0.059 Uiso 0.423(10) 1 calc R U P B 2
H41E H 0.0950 0.5803 0.3130 0.059 Uiso 0.423(10) 1 calc R U P B 2
H41F H 0.0290 0.5397 0.3857 0.059 Uiso 0.423(10) 1 calc R U P B 2
C422 C 0.0994(19) 0.3903(11) 0.3914(10) 0.050(5) Uani 0.423(10) 1 d . . P B 2
H42D H 0.0804 0.4071 0.4445 0.075 Uiso 0.423(10) 1 calc R U P B 2
H42E H 0.1648 0.3566 0.4034 0.075 Uiso 0.423(10) 1 calc R U P B 2
H42F H 0.0137 0.3498 0.3489 0.075 Uiso 0.423(10) 1 calc R U P B 2
C432 C 0.1688(10) 0.4389(8) 0.2684(7) 0.024(3) Uani 0.423(10) 1 d . . P B 2
H43C H 0.2054 0.3865 0.2751 0.029 Uiso 0.423(10) 1 calc R U P B 2
H43D H 0.0749 0.4125 0.2276 0.029 Uiso 0.423(10) 1 calc R U P B 2
C442 C 0.2427(6) 0.4992(6) 0.2339(4) 0.0538(18) Uani 0.423(10) 1 d . . P B 2
H44C H 0.1976 0.5462 0.2181 0.065 Uiso 0.423(10) 1 calc R U P B 2
H44D H 0.2432 0.4661 0.1800 0.065 Uiso 0.423(10) 1 calc R U P B 2
C45 C 0.4298(7) 0.6474(5) 0.2651(4) 0.0483(16) Uani 1 1 d . . . . .
H45A H 0.5254 0.6815 0.2992 0.072 Uiso 1 1 calc R U . . .
H45B H 0.4222 0.6447 0.2039 0.072 Uiso 1 1 calc R U . . .
H45C H 0.3707 0.6802 0.2787 0.072 Uiso 1 1 calc R U . . .
C46 C 0.4771(5) 0.4992(3) 0.2721(3) 0.0247(9) Uani 1 1 d . . . . .
H46A H 0.5121 0.5210 0.2241 0.030 Uiso 1 1 calc R U . . .
H46B H 0.4214 0.4312 0.2545 0.030 Uiso 1 1 calc R U . . .
C47 C 0.6014(4) 0.5099(3) 0.3507(3) 0.0187(8) Uani 1 1 d . . . . .
C48 C 0.6643(5) 0.4353(4) 0.3326(3) 0.0294(10) Uani 1 1 d . . . . .
H48A H 0.6967 0.4478 0.2818 0.035 Uiso 1 1 calc R U . . .
H48B H 0.7460 0.4438 0.3819 0.035 Uiso 1 1 calc R U . . .
C49 C 0.5708(7) 0.3328(4) 0.3166(4) 0.0453(15) Uani 1 1 d . . . . .
H49A H 0.5193 0.3230 0.3584 0.068 Uiso 1 1 calc R U . . .
H49B H 0.6264 0.2918 0.3225 0.068 Uiso 1 1 calc R U . . .
H49C H 0.5064 0.3174 0.2585 0.068 Uiso 1 1 calc R U . . .
C50 C 0.7156(5) 0.6079(3) 0.3696(3) 0.0268(10) Uani 1 1 d . . . . .
H50A H 0.6791 0.6551 0.3891 0.032 Uiso 1 1 calc R U . . .
H50B H 0.7928 0.6073 0.4183 0.032 Uiso 1 1 calc R U . . .
C51 C 0.7740(6) 0.6426(4) 0.2974(3) 0.0400(13) Uani 1 1 d . . . . .
H51A H 0.8102 0.5968 0.2765 0.060 Uiso 1 1 calc R U . . .
H51B H 0.8481 0.7038 0.3190 0.060 Uiso 1 1 calc R U . . .
H51C H 0.7011 0.6495 0.2503 0.060 Uiso 1 1 calc R U . . .
N13 N 0.3863(4) 0.5507(3) 0.2851(2) 0.0309(9) 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 O11 2.379(3) 2_675 ?
Sr1 O11 2.438(3) . ?
Sr1 O2 2.447(3) . ?
Sr1 O1 2.471(3) . ?
Sr1 N2 2.707(4) . ?
Sr1 N11 2.744(4) . ?
Sr1 N12 2.744(4) . ?
Sr1 Sr1 3.7099(7) 2_675 ?
O1 C1 1.264(5) . ?
O2 C3 1.261(5) . ?
O11 C17 1.395(5) . ?
O11 Sr1 2.379(3) 2_675 ?
N2 C15 1.459(7) . ?
N2 C142 1.470(7) . ?
N2 C141 1.470(7) . ?
N2 C16 1.491(6) . ?
C1 C2 1.399(6) . ?
C1 C4 1.523(6) . ?
C2 C3 1.397(6) . ?
C2 H2 0.9500 . ?
C3 C7 1.530(6) . ?
C4 C6 1.505(9) . ?
C4 C5 1.525(8) . ?
C4 H4 1.0000 . ?
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 1.517(6) . ?
C7 C9 1.525(7) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
N11 C111 1.32(2) . ?
N11 C121 1.365(13) . ?
N11 C131 1.641(10) . ?
C111 C131 2.02(2) . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C121 H12A 0.9800 . ?
C121 H12B 0.9800 . ?
C121 H12C 0.9800 . ?
C131 C141 1.341(11) . ?
C131 H13A 0.9900 . ?
C131 H13B 0.9900 . ?
C141 H14A 0.9900 . ?
C141 H14B 0.9900 . ?
N12 C132 1.377(14) . ?
N12 C112 1.58(3) . ?
N12 C122 1.675(14) . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C122 H12F 0.9800 . ?
C132 C142 1.626(15) . ?
C132 H13C 0.9900 . ?
C132 H13D 0.9900 . ?
C142 H14C 0.9900 . ?
C142 H14D 0.9900 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.545(6) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C20 1.538(7) . ?
C17 C18 1.555(6) . ?
C18 C19 1.527(7) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.531(7) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
Sr11 O31 2.372(3) 2_666 ?
Sr11 O31 2.441(3) . ?
Sr11 O21 2.446(3) . ?
Sr11 O22 2.463(3) . ?
Sr11 N112 2.723(4) . ?
Sr11 N111 2.723(4) . ?
Sr11 N13 2.729(4) . ?
Sr11 Sr11 3.6960(7) 2_666 ?
O21 C31 1.261(5) . ?
O22 C33 1.267(5) . ?
O31 C47 1.397(5) . ?
O31 Sr11 2.372(3) 2_666 ?
C31 C32 1.396(6) . ?
C31 C34 1.528(6) . ?
C32 C33 1.400(6) . ?
C32 H32 0.9500 . ?
C33 C37 1.528(6) . ?
C34 C36 1.513(7) . ?
C34 C35 1.517(7) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C39 1.514(8) . ?
C37 C38 1.524(8) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
N111 C431 1.368(10) . ?
N111 C421 1.479(11) . ?
N111 C411 1.532(11) . ?
C411 H41A 0.9800 . ?
C411 H41B 0.9800 . ?
C411 H41C 0.9800 . ?
C421 H42A 0.9800 . ?
C421 H42B 0.9800 . ?
C421 H42C 0.9800 . ?
C431 C441 1.543(11) . ?
C431 H43A 0.9900 . ?
C431 H43B 0.9900 . ?
C441 N13 1.471(7) . ?
C441 H44A 0.9900 . ?
C441 H44B 0.9900 . ?
N112 C422 1.405(15) . ?
N112 C412 1.499(13) . ?
N112 C432 1.600(12) . ?
C412 H41D 0.9800 . ?
C412 H41E 0.9800 . ?
C412 H41F 0.9800 . ?
C422 H42D 0.9800 . ?
C422 H42E 0.9800 . ?
C422 H42F 0.9800 . ?
C432 C442 1.274(13) . ?
C432 H43C 0.9900 . ?
C432 H43D 0.9900 . ?
C442 N13 1.471(7) . ?
C442 H44C 0.9900 . ?
C442 H44D 0.9900 . ?
C45 N13 1.473(7) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 N13 1.475(6) . ?
C46 C47 1.547(6) . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.538(6) . ?
C47 C50 1.546(6) . ?
C48 C49 1.518(8) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C51 1.526(7) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 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
O11 Sr1 O11 79.28(10) 2_675 . ?
O11 Sr1 O2 106.89(10) 2_675 . ?
O11 Sr1 O2 98.22(10) . . ?
O11 Sr1 O1 119.59(10) 2_675 . ?
O11 Sr1 O1 160.11(10) . . ?
O2 Sr1 O1 71.39(10) . . ?
O11 Sr1 N2 141.30(11) 2_675 . ?
O11 Sr1 N2 67.00(11) . . ?
O2 Sr1 N2 96.53(12) . . ?
O1 Sr1 N2 96.72(12) . . ?
O11 Sr1 N11 102.87(13) 2_675 . ?
O11 Sr1 N11 100.40(14) . . ?
O2 Sr1 N11 147.28(14) . . ?
O1 Sr1 N11 82.34(14) . . ?
N2 Sr1 N11 66.96(16) . . ?
O11 Sr1 N12 102.87(13) 2_675 . ?
O11 Sr1 N12 100.40(14) . . ?
O2 Sr1 N12 147.28(14) . . ?
O1 Sr1 N12 82.34(14) . . ?
N2 Sr1 N12 66.96(16) . . ?
O11 Sr1 Sr1 40.21(7) 2_675 2_675 ?
O11 Sr1 Sr1 39.06(6) . 2_675 ?
O2 Sr1 Sr1 106.28(7) . 2_675 ?
O1 Sr1 Sr1 159.16(8) . 2_675 ?
N2 Sr1 Sr1 104.11(9) . 2_675 ?
N11 Sr1 Sr1 105.15(12) . 2_675 ?
N12 Sr1 Sr1 105.15(12) . 2_675 ?
C1 O1 Sr1 134.8(3) . . ?
C3 O2 Sr1 135.6(3) . . ?
C17 O11 Sr1 138.7(2) . 2_675 ?
C17 O11 Sr1 120.2(2) . . ?
Sr1 O11 Sr1 100.72(10) 2_675 . ?
C15 N2 C142 109.5(5) . . ?
C15 N2 C141 109.5(5) . . ?
C15 N2 C16 112.8(4) . . ?
C142 N2 C16 110.8(4) . . ?
C141 N2 C16 110.8(4) . . ?
C15 N2 Sr1 102.7(3) . . ?
C142 N2 Sr1 111.1(3) . . ?
C141 N2 Sr1 111.1(3) . . ?
C16 N2 Sr1 109.7(3) . . ?
O1 C1 C2 125.5(4) . . ?
O1 C1 C4 116.2(4) . . ?
C2 C1 C4 118.3(4) . . ?
C3 C2 C1 125.8(4) . . ?
C3 C2 H2 117.1 . . ?
C1 C2 H2 117.1 . . ?
O2 C3 C2 126.0(4) . . ?
O2 C3 C7 116.2(4) . . ?
C2 C3 C7 117.7(4) . . ?
C6 C4 C1 110.4(5) . . ?
C6 C4 C5 110.6(5) . . ?
C1 C4 C5 109.9(4) . . ?
C6 C4 H4 108.7 . . ?
C1 C4 H4 108.7 . . ?
C5 C4 H4 108.7 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 C9 110.6(4) . . ?
C8 C7 C3 111.8(4) . . ?
C9 C7 C3 108.5(4) . . ?
C8 C7 H7 108.6 . . ?
C9 C7 H7 108.6 . . ?
C3 C7 H7 108.6 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C111 N11 C121 122.5(12) . . ?
C111 N11 C131 85.3(11) . . ?
C121 N11 C131 106.5(8) . . ?
C111 N11 Sr1 112.0(10) . . ?
C121 N11 Sr1 118.1(6) . . ?
C131 N11 Sr1 104.9(4) . . ?
N11 C111 C131 54.0(8) . . ?
N11 C111 H11A 109.5 . . ?
C131 C111 H11A 160.5 . . ?
N11 C111 H11B 109.5 . . ?
C131 C111 H11B 71.8 . . ?
H11A C111 H11B 109.5 . . ?
N11 C111 H11C 109.5 . . ?
C131 C111 H11C 87.6 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
N11 C121 H12A 109.5 . . ?
N11 C121 H12B 109.5 . . ?
H12A C121 H12B 109.5 . . ?
N11 C121 H12C 109.5 . . ?
H12A C121 H12C 109.5 . . ?
H12B C121 H12C 109.5 . . ?
C141 C131 N11 111.8(6) . . ?
C141 C131 C111 148.6(9) . . ?
N11 C131 C111 40.7(8) . . ?
C141 C131 H13A 109.3 . . ?
N11 C131 H13A 109.3 . . ?
C111 C131 H13A 77.0 . . ?
C141 C131 H13B 109.3 . . ?
N11 C131 H13B 109.3 . . ?
C111 C131 H13B 97.2 . . ?
H13A C131 H13B 107.9 . . ?
C131 C141 N2 114.2(6) . . ?
C131 C141 H14A 108.7 . . ?
N2 C141 H14A 108.7 . . ?
C131 C141 H14B 108.7 . . ?
N2 C141 H14B 108.7 . . ?
H14A C141 H14B 107.6 . . ?
C132 N12 C112 142.9(16) . . ?
C132 N12 C122 102.5(8) . . ?
C112 N12 C122 87.3(16) . . ?
C132 N12 Sr1 103.1(6) . . ?
C112 N12 Sr1 109.6(16) . . ?
C122 N12 Sr1 102.4(5) . . ?
N12 C112 H11D 109.5 . . ?
N12 C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
N12 C112 H11F 109.5 . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
N12 C122 H12D 109.5 . . ?
N12 C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
N12 C122 H12F 109.5 . . ?
H12D C122 H12F 109.5 . . ?
H12E C122 H12F 109.5 . . ?
N12 C132 C142 110.8(9) . . ?
N12 C132 H13C 109.5 . . ?
C142 C132 H13C 109.5 . . ?
N12 C132 H13D 109.5 . . ?
C142 C132 H13D 109.5 . . ?
H13C C132 H13D 108.1 . . ?
N2 C142 C132 114.9(6) . . ?
N2 C142 H14C 108.5 . . ?
C132 C142 H14C 108.5 . . ?
N2 C142 H14D 108.5 . . ?
C132 C142 H14D 108.5 . . ?
H14C C142 H14D 107.5 . . ?
N2 C15 H15A 109.5 . . ?
N2 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N2 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 C17 115.1(4) . . ?
N2 C16 H16A 108.5 . . ?
C17 C16 H16A 108.5 . . ?
N2 C16 H16B 108.5 . . ?
C17 C16 H16B 108.5 . . ?
H16A C16 H16B 107.5 . . ?
O11 C17 C20 108.1(3) . . ?
O11 C17 C16 109.9(4) . . ?
C20 C17 C16 113.5(4) . . ?
O11 C17 C18 109.3(3) . . ?
C20 C17 C18 109.0(4) . . ?
C16 C17 C18 107.0(4) . . ?
C19 C18 C17 116.0(4) . . ?
C19 C18 H18A 108.3 . . ?
C17 C18 H18A 108.3 . . ?
C19 C18 H18B 108.3 . . ?
C17 C18 H18B 108.3 . . ?
H18A C18 H18B 107.4 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C17 118.0(4) . . ?
C21 C20 H20A 107.8 . . ?
C17 C20 H20A 107.8 . . ?
C21 C20 H20B 107.8 . . ?
C17 C20 H20B 107.8 . . ?
H20A C20 H20B 107.1 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O31 Sr11 O31 79.67(10) 2_666 . ?
O31 Sr11 O21 106.11(11) 2_666 . ?
O31 Sr11 O21 96.81(10) . . ?
O31 Sr11 O22 119.68(11) 2_666 . ?
O31 Sr11 O22 159.23(11) . . ?
O21 Sr11 O22 71.65(10) . . ?
O31 Sr11 N112 101.07(12) 2_666 . ?
O31 Sr11 N112 103.18(12) . . ?
O21 Sr11 N112 148.67(12) . . ?
O22 Sr11 N112 81.57(12) . . ?
O31 Sr11 N111 101.07(12) 2_666 . ?
O31 Sr11 N111 103.18(12) . . ?
O21 Sr11 N111 148.67(12) . . ?
O22 Sr11 N111 81.57(12) . . ?
O31 Sr11 N13 138.92(11) 2_666 . ?
O31 Sr11 N13 66.67(11) . . ?
O21 Sr11 N13 100.82(13) . . ?
O22 Sr11 N13 97.87(12) . . ?
N112 Sr11 N13 66.49(13) . . ?
N111 Sr11 N13 66.49(13) . . ?
O31 Sr11 Sr11 40.52(7) 2_666 2_666 ?
O31 Sr11 Sr11 39.16(7) . 2_666 ?
O21 Sr11 Sr11 104.86(8) . 2_666 ?
O22 Sr11 Sr11 159.27(9) . 2_666 ?
N112 Sr11 Sr11 105.89(9) . 2_666 ?
N111 Sr11 Sr11 105.89(9) . 2_666 ?
N13 Sr11 Sr11 102.85(9) . 2_666 ?
C31 O21 Sr11 135.6(3) . . ?
C33 O22 Sr11 134.6(3) . . ?
C47 O31 Sr11 140.3(2) . 2_666 ?
C47 O31 Sr11 119.2(2) . . ?
Sr11 O31 Sr11 100.33(10) 2_666 . ?
O21 C31 C32 125.5(4) . . ?
O21 C31 C34 115.8(4) . . ?
C32 C31 C34 118.7(4) . . ?
C31 C32 C33 126.2(4) . . ?
C31 C32 H32 116.9 . . ?
C33 C32 H32 116.9 . . ?
O22 C33 C32 125.6(4) . . ?
O22 C33 C37 116.4(4) . . ?
C32 C33 C37 118.0(4) . . ?
C36 C34 C35 110.9(5) . . ?
C36 C34 C31 111.9(4) . . ?
C35 C34 C31 108.8(4) . . ?
C36 C34 H34 108.4 . . ?
C35 C34 H34 108.4 . . ?
C31 C34 H34 108.4 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C39 C37 C38 111.3(5) . . ?
C39 C37 C33 110.6(4) . . ?
C38 C37 C33 109.5(5) . . ?
C39 C37 H37 108.4 . . ?
C38 C37 H37 108.4 . . ?
C33 C37 H37 108.4 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C431 N111 C421 118.8(7) . . ?
C431 N111 C411 110.9(6) . . ?
C421 N111 C411 106.3(7) . . ?
C431 N111 Sr11 107.9(4) . . ?
C421 N111 Sr11 103.8(4) . . ?
C411 N111 Sr11 108.4(5) . . ?
N111 C411 H41A 109.5 . . ?
N111 C411 H41B 109.5 . . ?
H41A C411 H41B 109.5 . . ?
N111 C411 H41C 109.5 . . ?
H41A C411 H41C 109.5 . . ?
H41B C411 H41C 109.5 . . ?
N111 C421 H42A 109.5 . . ?
N111 C421 H42B 109.5 . . ?
H42A C421 H42B 109.5 . . ?
N111 C421 H42C 109.5 . . ?
H42A C421 H42C 109.5 . . ?
H42B C421 H42C 109.5 . . ?
N111 C431 C441 116.4(6) . . ?
N111 C431 H43A 108.2 . . ?
C441 C431 H43A 108.2 . . ?
N111 C431 H43B 108.2 . . ?
C441 C431 H43B 108.2 . . ?
H43A C431 H43B 107.3 . . ?
N13 C441 C431 115.6(5) . . ?
N13 C441 H44A 108.4 . . ?
C431 C441 H44A 108.4 . . ?
N13 C441 H44B 108.4 . . ?
C431 C441 H44B 108.4 . . ?
H44A C441 H44B 107.4 . . ?
C422 N112 C412 110.6(11) . . ?
C422 N112 C432 106.2(9) . . ?
C412 N112 C432 102.6(7) . . ?
C422 N112 Sr11 114.2(8) . . ?
C412 N112 Sr11 116.0(5) . . ?
C432 N112 Sr11 106.0(4) . . ?
N112 C412 H41D 109.5 . . ?
N112 C412 H41E 109.5 . . ?
H41D C412 H41E 109.5 . . ?
N112 C412 H41F 109.5 . . ?
H41D C412 H41F 109.5 . . ?
H41E C412 H41F 109.5 . . ?
N112 C422 H42D 109.5 . . ?
N112 C422 H42E 109.5 . . ?
H42D C422 H42E 109.5 . . ?
N112 C422 H42F 109.5 . . ?
H42D C422 H42F 109.5 . . ?
H42E C422 H42F 109.5 . . ?
C442 C432 N112 118.5(8) . . ?
C442 C432 H43C 107.7 . . ?
N112 C432 H43C 107.7 . . ?
C442 C432 H43D 107.7 . . ?
N112 C432 H43D 107.7 . . ?
H43C C432 H43D 107.1 . . ?
C432 C442 N13 117.2(7) . . ?
C432 C442 H44C 108.0 . . ?
N13 C442 H44C 108.0 . . ?
C432 C442 H44D 108.0 . . ?
N13 C442 H44D 108.0 . . ?
H44C C442 H44D 107.2 . . ?
N13 C45 H45A 109.5 . . ?
N13 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
N13 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N13 C46 C47 115.7(4) . . ?
N13 C46 H46A 108.4 . . ?
C47 C46 H46A 108.4 . . ?
N13 C46 H46B 108.4 . . ?
C47 C46 H46B 108.4 . . ?
H46A C46 H46B 107.4 . . ?
O31 C47 C48 110.2(3) . . ?
O31 C47 C50 108.4(3) . . ?
C48 C47 C50 107.7(4) . . ?
O31 C47 C46 109.2(3) . . ?
C48 C47 C46 108.3(3) . . ?
C50 C47 C46 113.2(4) . . ?
C49 C48 C47 116.5(4) . . ?
C49 C48 H48A 108.2 . . ?
C47 C48 H48A 108.2 . . ?
C49 C48 H48B 108.2 . . ?
C47 C48 H48B 108.2 . . ?
H48A C48 H48B 107.3 . . ?
C48 C49 H49A 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C48 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C51 C50 C47 118.3(4) . . ?
C51 C50 H50A 107.7 . . ?
C47 C50 H50A 107.7 . . ?
C51 C50 H50B 107.7 . . ?
C47 C50 H50B 107.7 . . ?
H50A C50 H50B 107.1 . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C442 N13 C45 109.6(5) . . ?
C441 N13 C45 109.6(5) . . ?
C442 N13 C46 111.1(4) . . ?
C441 N13 C46 111.1(4) . . ?
C45 N13 C46 112.5(4) . . ?
C442 N13 Sr11 112.0(3) . . ?
C441 N13 Sr11 112.0(3) . . ?
C45 N13 Sr11 102.2(3) . . ?
C46 N13 Sr11 109.1(3) . . ?

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 O1 C1 C2 12.0(7) . . . . ?
Sr1 O1 C1 C4 -167.5(3) . . . . ?
O1 C1 C2 C3 -4.3(8) . . . . ?
C4 C1 C2 C3 175.2(4) . . . . ?
Sr1 O2 C3 C2 -5.2(7) . . . . ?
Sr1 O2 C3 C7 170.9(3) . . . . ?
C1 C2 C3 O2 0.8(7) . . . . ?
C1 C2 C3 C7 -175.2(4) . . . . ?
O1 C1 C4 C6 -66.0(6) . . . . ?
C2 C1 C4 C6 114.5(5) . . . . ?
O1 C1 C4 C5 56.2(6) . . . . ?
C2 C1 C4 C5 -123.3(5) . . . . ?
O2 C3 C7 C8 31.9(5) . . . . ?
C2 C3 C7 C8 -151.7(4) . . . . ?
O2 C3 C7 C9 -90.4(5) . . . . ?
C2 C3 C7 C9 86.1(5) . . . . ?
C121 N11 C111 C131 106.6(11) . . . . ?
Sr1 N11 C111 C131 -104.2(6) . . . . ?
C111 N11 C131 C141 -160.6(12) . . . . ?
C121 N11 C131 C141 76.8(9) . . . . ?
Sr1 N11 C131 C141 -49.1(7) . . . . ?
C121 N11 C131 C111 -122.6(12) . . . . ?
Sr1 N11 C131 C111 111.6(10) . . . . ?
N11 C131 C141 N2 67.0(8) . . . . ?
C111 C131 C141 N2 42.5(19) . . . . ?
C15 N2 C141 C131 -158.6(6) . . . . ?
C16 N2 C141 C131 76.3(7) . . . . ?
Sr1 N2 C141 C131 -45.9(7) . . . . ?
C112 N12 C132 C142 -89(3) . . . . ?
C122 N12 C132 C142 168.7(8) . . . . ?
Sr1 N12 C132 C142 62.6(9) . . . . ?
C15 N2 C142 C132 -97.9(8) . . . . ?
C16 N2 C142 C132 137.1(7) . . . . ?
Sr1 N2 C142 C132 14.9(8) . . . . ?
N12 C132 C142 N2 -57.2(11) . . . . ?
C15 N2 C16 C17 89.7(5) . . . . ?
C142 N2 C16 C17 -147.1(5) . . . . ?
C141 N2 C16 C17 -147.1(5) . . . . ?
Sr1 N2 C16 C17 -24.2(5) . . . . ?
Sr1 O11 C17 C20 -93.6(4) 2_675 . . . ?
Sr1 O11 C17 C20 77.4(4) . . . . ?
Sr1 O11 C17 C16 142.1(3) 2_675 . . . ?
Sr1 O11 C17 C16 -46.9(4) . . . . ?
Sr1 O11 C17 C18 24.9(6) 2_675 . . . ?
Sr1 O11 C17 C18 -164.1(3) . . . . ?
N2 C16 C17 O11 45.8(5) . . . . ?
N2 C16 C17 C20 -75.4(5) . . . . ?
N2 C16 C17 C18 164.4(4) . . . . ?
O11 C17 C18 C19 55.0(5) . . . . ?
C20 C17 C18 C19 172.9(4) . . . . ?
C16 C17 C18 C19 -64.0(5) . . . . ?
O11 C17 C20 C21 -177.1(5) . . . . ?
C16 C17 C20 C21 -54.9(6) . . . . ?
C18 C17 C20 C21 64.2(6) . . . . ?
Sr11 O21 C31 C32 -5.7(7) . . . . ?
Sr11 O21 C31 C34 175.2(3) . . . . ?
O21 C31 C32 C33 -1.2(8) . . . . ?
C34 C31 C32 C33 177.9(4) . . . . ?
Sr11 O22 C33 C32 8.4(7) . . . . ?
Sr11 O22 C33 C37 -172.0(3) . . . . ?
C31 C32 C33 O22 -0.3(8) . . . . ?
C31 C32 C33 C37 -179.9(4) . . . . ?
O21 C31 C34 C36 -42.0(6) . . . . ?
C32 C31 C34 C36 138.8(5) . . . . ?
O21 C31 C34 C35 80.8(5) . . . . ?
C32 C31 C34 C35 -98.4(5) . . . . ?
O22 C33 C37 C39 56.9(6) . . . . ?
C32 C33 C37 C39 -123.4(5) . . . . ?
O22 C33 C37 C38 -66.2(6) . . . . ?
C32 C33 C37 C38 113.5(5) . . . . ?
C421 N111 C431 C441 -65.3(10) . . . . ?
C411 N111 C431 C441 171.1(7) . . . . ?
Sr11 N111 C431 C441 52.4(8) . . . . ?
N111 C431 C441 N13 -49.9(10) . . . . ?
C422 N112 C432 C442 -165.7(12) . . . . ?
C412 N112 C432 C442 78.2(10) . . . . ?
Sr11 N112 C432 C442 -43.8(9) . . . . ?
N112 C432 C442 N13 55.2(11) . . . . ?
Sr11 O31 C47 C48 17.5(6) 2_666 . . . ?
Sr11 O31 C47 C48 -169.0(3) . . . . ?
Sr11 O31 C47 C50 -100.1(4) 2_666 . . . ?
Sr11 O31 C47 C50 73.4(4) . . . . ?
Sr11 O31 C47 C46 136.3(3) 2_666 . . . ?
Sr11 O31 C47 C46 -50.2(4) . . . . ?
N13 C46 C47 O31 47.4(5) . . . . ?
N13 C46 C47 C48 167.4(4) . . . . ?
N13 C46 C47 C50 -73.4(5) . . . . ?
O31 C47 C48 C49 59.1(5) . . . . ?
C50 C47 C48 C49 177.1(4) . . . . ?
C46 C47 C48 C49 -60.2(5) . . . . ?
O31 C47 C50 C51 -175.5(4) . . . . ?
C48 C47 C50 C51 65.3(5) . . . . ?
C46 C47 C50 C51 -54.3(6) . . . . ?
C432 C442 N13 C45 -146.2(8) . . . . ?
C432 C442 N13 C46 88.8(8) . . . . ?
C432 C442 N13 Sr11 -33.5(9) . . . . ?
C431 C441 N13 C45 -96.0(7) . . . . ?
C431 C441 N13 C46 139.0(6) . . . . ?
C431 C441 N13 Sr11 16.7(8) . . . . ?
C47 C46 N13 C442 -147.3(4) . . . . ?
C47 C46 N13 C441 -147.3(4) . . . . ?
C47 C46 N13 C45 89.4(5) . . . . ?
C47 C46 N13 Sr11 -23.3(5) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C50 H50A O21 0.99 2.64 3.558(6) 154.1 .
C122 H12D O1 0.98 2.49 3.267(12) 135.8 .
C50 H50A O21 0.99 2.64 3.558(6) 154.1 .
C122 H12D O1 0.98 2.49 3.267(12) 135.8 .
C50 H50A O21 0.99 2.64 3.558(6) 154.1 .
C122 H12D O1 0.98 2.49 3.267(12) 135.8 .
C50 H50A O21 0.99 2.64 3.558(6) 154.1 .
C122 H12D O1 0.98 2.49 3.267(12) 135.8 .
C50 H50A O21 0.99 2.64 3.558(6) 154.1 .
C122 H12D O1 0.98 2.49 3.267(12) 135.8 .
C50 H50A O21 0.99 2.64 3.558(6) 154.1 .
C122 H12D O1 0.98 2.49 3.267(12) 135.8 .
C50 H50A O21 0.99 2.64 3.558(6) 154.1 .

_refine_diff_density_max         2.890
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.135


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane'
_chemical_properties_physical    
'Air-sensitive, Moisture-sensitive, Hygroscopic, Oxygen-sensitive'
