#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/55/7035569.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7035569
loop_
_publ_author_name
'George, Sheby Mary'
'Kim, Hyo-Suk'
'Oh, Hyun Ji'
'Lah, Myoung Soo'
'Jeon, Dong Ju'
'Park, Bo Keun'
'Han, Jeong Hwan'
'Kim, Chang Gyoun'
'Chung, Taek-Mo'
_publ_section_title
;
 Heteroleptic strontium complexes stabilized by donor-functionalized
 alkoxide and β-diketonate ligands.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14042
_journal_page_last               14053
_journal_paper_doi               10.1039/c5dt01356a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C57 H109 O15 Sr3'
_chemical_formula_weight         1297.30
_chemical_name_systematic        '[Sr(memp)(tmhd)]3'
_chemical_properties_physical
'Air-sensitive, Moisture-sensitive, Hygroscopic'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-11-17 deposited with the CCDC.
2015-06-26 downloaded from the CCDC.
;
_cell_angle_alpha                94.454(3)
_cell_angle_beta                 103.164(2)
_cell_angle_gamma                106.686(2)
_cell_formula_units_Z            2
_cell_length_a                   10.6143(5)
_cell_length_b                   16.2868(7)
_cell_length_c                   21.475(1)
_cell_measurement_reflns_used    9973
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      25.93
_cell_measurement_theta_min      2.46
_cell_volume                     3421.7(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0664
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            16978
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         0.99
_exptl_absorpt_coefficient_mu    2.385
_exptl_absorpt_correction_T_max  0.8701
_exptl_absorpt_correction_T_min  0.7015
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1370
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.108
_refine_diff_density_min         -1.279
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         16978
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0340P)²+3.6818P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0838
_refine_ls_wR_factor_ref         0.0961
_reflns_number_gt                12022
_reflns_number_total             16978
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt01356a2.cif
_cod_data_source_block           20140305lt_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7035567--7035572.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7035569
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
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
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'
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
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_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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_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_4
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
