#------------------------------------------------------------------------------
#$Date: 2020-10-06 14:47:29 +0300 (Tue, 06 Oct 2020) $
#$Revision: 258130 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/11/7241164.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_7241164
loop_
_publ_author_name
'Almáši, Miroslav'
'Zeleňák, Vladimír'
'Gyepes, Róbert'
'Zauška, Ľuboš'
'Bourrelly, Sandrine'
_publ_section_title
;
 A series of four novel alkaline earth metal--organic frameworks
 constructed of Ca(ii), Sr(ii), Ba(ii) ions and tetrahedral MTB linker:
 structural diversity, stability study and low/high-pressure gas
 adsorption properties
;
_journal_issue                   54
_journal_name_full               'RSC Advances'
_journal_page_first              32323
_journal_page_last               32334
_journal_paper_doi               10.1039/D0RA05145D
_journal_volume                  10
_journal_year                    2020
_chemical_formula_moiety         'C58 H32 O16 Sr3 [+ solvent]'
_chemical_formula_sum            'C58 H32 N0 O16 Sr3'
_chemical_formula_weight         1247.69
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-08-20 deposited with the CCDC.	2020-08-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.4880(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.6159(6)
_cell_length_b                   21.5936(8)
_cell_length_c                   28.5465(10)
_cell_measurement_reflns_used    7648
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.8369
_cell_measurement_theta_min      2.3779
_cell_volume                     9398.2(6)
_computing_cell_refinement       'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service v2012.12.0.3'
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics
'K. Brandenburg, H. Putz, DIAMOND--Crystal and Molecular Structure Visualization, version  4.5, Crystal Impact GbR, Bonn, 2017'
_computing_publication_material  'PLATON (Spek, 2020)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Nonius KappaCCD with Bruker APEXII detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0573
_diffrn_reflns_av_unetI/netI     0.1145
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            48493
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.401
_diffrn_reflns_theta_min         1.193
_exptl_absorpt_coefficient_mu    1.737
_exptl_absorpt_correction_T_max  0.78
_exptl_absorpt_correction_T_min  0.61
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.882
_exptl_crystal_description       bar
_exptl_crystal_F_000             2488
_exptl_crystal_size_max          0.406
_exptl_crystal_size_mid          0.156
_exptl_crystal_size_min          0.101
_refine_diff_density_max         1.043
_refine_diff_density_min         -1.041
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     704
_refine_ls_number_reflns         18535
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.1144
_refine_ls_R_factor_gt           0.0647
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0815P)²+11.2828P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1632
_refine_ls_wR_factor_ref         0.1792
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10987
_reflns_number_total             18535
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ra05145d2.cif
_cod_data_source_block           sr-mtb-90c_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7241163--7241166.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7241164
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.539
_shelx_estimated_absorpt_t_max   0.844
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
O1 O 0.0975(2) 0.45334(17) 0.27194(12) 0.0286(9) Uani 1 1 d . . . . .
O13 O 0.1056(3) 0.4761(3) 0.19799(14) 0.0667(15) Uani 1 1 d . . . . .
O14 O 0.4489(2) 0.09371(18) 0.22538(13) 0.0340(9) Uani 1 1 d . . . . .
O15 O 0.4265(2) 0.13608(17) 0.15276(13) 0.0361(9) Uani 1 1 d . . . . .
O16 O 0.8113(3) 0.5495(2) 0.21259(17) 0.0577(13) Uani 1 1 d . . . . .
O17A O 0.7086(7) 0.6190(4) 0.2137(6) 0.090(5) Uani 0.63(2) 1 d D U P A 1
O17B O 0.6926(7) 0.5970(8) 0.1817(5) 0.054(6) Uani 0.37(2) 1 d D U P A 2
O18 O 0.6814(3) 0.44698(18) 0.50733(12) 0.0386(10) Uani 1 1 d D . . . .
O19 O 0.7362(3) 0.3519(2) 0.50431(14) 0.0589(13) Uani 1 1 d . . . . .
C29 C 0.1398(3) 0.4579(3) 0.2385(2) 0.0328(13) Uani 1 1 d . . . . .
C30 C 0.2342(3) 0.4360(3) 0.25019(18) 0.0311(13) Uani 1 1 d . . . . .
C31 C 0.2862(4) 0.4432(3) 0.21665(19) 0.0410(16) Uani 1 1 d . . . . .
H31 H 0.261510 0.459085 0.185619 0.049 Uiso 1 1 calc R U . . .
C32 C 0.3726(4) 0.4274(3) 0.22859(19) 0.0332(14) Uani 1 1 d . . . . .
H32 H 0.406932 0.431917 0.205075 0.040 Uiso 1 1 calc R U . . .
C33 C 0.4124(3) 0.4053(2) 0.27313(19) 0.0268(12) Uani 1 1 d . . . . .
C34 C 0.5046(3) 0.3192(2) 0.26265(17) 0.0245(12) Uani 1 1 d . . . . .
C35 C 0.4870(3) 0.2690(3) 0.28937(18) 0.0284(13) Uani 1 1 d . . . . .
H35 H 0.486027 0.274591 0.322265 0.034 Uiso 1 1 calc R U . . .
C36 C 0.4707(3) 0.2109(2) 0.26907(18) 0.0280(12) Uani 1 1 d . . . . .
H36 H 0.459949 0.176816 0.288031 0.034 Uiso 1 1 calc R U . . .
C37 C 0.4703(3) 0.2027(2) 0.22057(18) 0.0254(12) Uani 1 1 d . . . . .
C38 C 0.4466(3) 0.1402(3) 0.19816(19) 0.0315(14) Uani 1 1 d . . . . .
C39 C 0.4856(4) 0.2537(3) 0.19339(19) 0.0348(14) Uani 1 1 d . . . . .
H39 H 0.482664 0.249262 0.159975 0.042 Uiso 1 1 calc R U . . .
C40 C 0.5047(4) 0.3097(3) 0.21489(18) 0.0338(14) Uani 1 1 d . . . . .
H40 H 0.518592 0.343403 0.196429 0.041 Uiso 1 1 calc R U . . .
C41 C 0.5678(3) 0.4307(2) 0.26303(17) 0.0268(12) Uani 1 1 d . . . . .
C42 C 0.5466(4) 0.4934(3) 0.25906(19) 0.0337(14) Uani 1 1 d . . . . .
H42 H 0.494528 0.507259 0.267860 0.040 Uiso 1 1 calc R U . . .
C43 C 0.6001(4) 0.5364(3) 0.2424(2) 0.0405(15) Uani 1 1 d . . . . .
H43 H 0.583050 0.578617 0.238832 0.049 Uiso 1 1 calc R U . . .
C44 C 0.6786(3) 0.5172(3) 0.2311(2) 0.0381(15) Uani 1 1 d D . . . .
C45 C 0.7349(4) 0.5626(3) 0.2148(3) 0.077(3) Uani 1 1 d D . . . .
C46 C 0.6998(4) 0.4537(3) 0.2355(2) 0.0469(17) Uani 1 1 d . . . . .
H46 H 0.752251 0.439411 0.227353 0.056 Uiso 1 1 calc R U . . .
C47 C 0.6458(3) 0.4120(3) 0.25139(19) 0.0337(14) Uani 1 1 d . . . . .
H47 H 0.662106 0.369543 0.254467 0.040 Uiso 1 1 calc R U . . .
C48 C 0.5529(3) 0.3858(2) 0.33843(18) 0.0279(13) Uani 1 1 d . . . . .
C49 C 0.5309(3) 0.4300(2) 0.36939(18) 0.0269(12) Uani 1 1 d . . . . .
H49 H 0.484489 0.458315 0.357961 0.032 Uiso 1 1 calc R U . . .
C50 C 0.5765(3) 0.4328(3) 0.41705(19) 0.0318(13) Uani 1 1 d . . . . .
H50 H 0.559955 0.462945 0.437705 0.038 Uiso 1 1 calc R U . . .
C51 C 0.6441(3) 0.3937(3) 0.43483(18) 0.0298(13) Uani 1 1 d . . . . .
C52 C 0.6914(4) 0.3961(3) 0.4857(2) 0.0384(15) Uani 1 1 d D . . . .
C53 C 0.6676(3) 0.3484(3) 0.40376(19) 0.0334(14) Uani 1 1 d . . . . .
H53 H 0.713320 0.319681 0.415454 0.040 Uiso 1 1 calc R U . . .
C54 C 0.6230(3) 0.3465(3) 0.35631(18) 0.0318(13) Uani 1 1 d . . . . .
H54 H 0.640773 0.317484 0.335275 0.038 Uiso 1 1 calc R U . . .
C55 C 0.3580(3) 0.3941(2) 0.30566(18) 0.0260(12) Uani 1 1 d . . . . .
H55 H 0.381156 0.374679 0.335586 0.031 Uiso 1 1 calc R U . . .
C56 C 0.2700(3) 0.4116(3) 0.29369(18) 0.0319(13) Uani 1 1 d . . . . .
H56 H 0.234423 0.406217 0.316520 0.038 Uiso 1 1 calc R U . . .
C200 C 0.5092(3) 0.3854(3) 0.28435(17) 0.0272(13) Uani 1 1 d . . . . .
O2 O 0.5417(2) -0.01046(16) 0.18743(12) 0.0280(8) Uani 1 1 d . U . . .
O3 O 0.6263(2) 0.09060(16) -0.12658(12) 0.0298(9) Uani 1 1 d . . . . .
O4 O 0.5711(3) 0.1839(2) -0.11618(14) 0.0586(13) Uani 1 1 d . . . . .
O5 O 0.6210(2) -0.08593(19) 0.16430(13) 0.0372(10) Uani 1 1 d . . . . .
O6 O 0.9139(2) 0.40091(16) 0.22253(12) 0.0309(9) Uani 1 1 d . . . . .
O7 O 0.8992(3) 0.44162(19) 0.14987(13) 0.0546(13) Uani 1 1 d . . . . .
O10 O 1.2375(2) 0.06038(19) 0.17394(12) 0.0372(10) Uani 1 1 d . . . . .
O11 O 1.2319(2) 0.05151(19) 0.09657(12) 0.0368(10) Uani 1 1 d . . . . .
C1 C 0.6216(3) 0.1372(3) -0.10142(19) 0.0320(13) Uani 1 1 d . . . . .
C2 C 0.6059(3) -0.0304(3) 0.16946(16) 0.0231(12) Uani 1 1 d . U . . .
C3 C 0.6642(3) 0.0170(2) 0.15384(16) 0.0200(11) Uani 1 1 d . . . . .
C4 C 0.6426(3) 0.0790(3) 0.14857(19) 0.0330(14) Uani 1 1 d . . . . .
H4 H 0.589892 0.093104 0.156491 0.040 Uiso 1 1 calc R U . . .
C5 C 0.6962(3) 0.1215(3) 0.13195(19) 0.0294(13) Uani 1 1 d . . . . .
H5 H 0.679192 0.163731 0.128409 0.035 Uiso 1 1 calc R U . . .
C6 C 0.7733(3) 0.1030(2) 0.12063(16) 0.0206(11) Uani 1 1 d . . . . .
C7 C 0.7782(3) 0.1474(2) 0.04283(17) 0.0219(12) Uani 1 1 d . . . . .
C8 C 0.7838(4) 0.0971(3) 0.01331(19) 0.0351(14) Uani 1 1 d . U . . .
H8 H 0.823540 0.064493 0.025090 0.042 Uiso 1 1 calc R U . . .
C9 C 0.7332(4) 0.0931(3) -0.03262(19) 0.0338(14) Uani 1 1 d . U . . .
H9 H 0.737175 0.057356 -0.051464 0.041 Uiso 1 1 calc R U . . .
C10 C 0.6766(3) 0.1407(2) -0.05160(17) 0.0235(11) Uani 1 1 d . U . . .
C11 C 0.6703(4) 0.1913(3) -0.0211(2) 0.0509(17) Uani 1 1 d . U . . .
H11 H 0.631602 0.224539 -0.032483 0.061 Uiso 1 1 calc R U . . .
C12 C 0.7198(4) 0.1926(3) 0.02491(18) 0.0384(15) Uani 1 1 d . U . . .
H12 H 0.712885 0.226507 0.045012 0.046 Uiso 1 1 calc R U . . .
C13 C 0.8391(3) 0.2131(2) 0.11708(17) 0.0229(12) Uani 1 1 d . . . . .
C14 C 0.8318(4) 0.2265(3) 0.16373(19) 0.0357(14) Uani 1 1 d . . . . .
H14 H 0.814386 0.195015 0.183012 0.043 Uiso 1 1 calc R U . . .
C15 C 0.8500(4) 0.2864(3) 0.18236(19) 0.0332(14) Uani 1 1 d . . . . .
H15 H 0.845419 0.294797 0.214389 0.040 Uiso 1 1 calc R U . . .
C16 C 0.8740(3) 0.3324(3) 0.15557(18) 0.0282(13) Uani 1 1 d . . . . .
C17 C 0.8972(3) 0.3955(3) 0.1766(2) 0.0339(14) Uani 1 1 d . . . . .
C18 C 0.8821(4) 0.3195(3) 0.1090(2) 0.0387(15) Uani 1 1 d . . . . .
H18 H 0.898978 0.351153 0.089786 0.046 Uiso 1 1 calc R U . . .
C19 C 0.8653(4) 0.2599(3) 0.09074(19) 0.0363(14) Uani 1 1 d . . . . .
H19 H 0.872104 0.251429 0.059103 0.044 Uiso 1 1 calc R U . . .
C20 C 0.9262(3) 0.1258(2) 0.10450(17) 0.0246(12) Uani 1 1 d . . . . .
C21 C 0.9716(4) 0.1230(3) 0.0674(2) 0.0506(19) Uani 1 1 d . . . . .
H21 H 0.942226 0.132768 0.035536 0.061 Uiso 1 1 calc R U . . .
C22 C 1.0579(4) 0.1064(4) 0.0768(2) 0.068(2) Uani 1 1 d . . . . .
H22 H 1.088527 0.108279 0.051427 0.082 Uiso 1 1 calc R U . . .
C23 C 1.1026(3) 0.0872(3) 0.12130(18) 0.0282(13) Uani 1 1 d . . . . .
C24 C 1.0595(3) 0.0921(3) 0.15810(19) 0.0359(14) Uani 1 1 d . . . . .
H24 H 1.089085 0.082239 0.189930 0.043 Uiso 1 1 calc R U . . .
C25 C 0.9724(3) 0.1114(3) 0.1489(2) 0.0378(15) Uani 1 1 d . . . . .
H25 H 0.944116 0.114695 0.175143 0.045 Uiso 1 1 calc R U . . .
C26 C 0.7963(3) 0.0415(3) 0.12658(19) 0.0354(14) Uani 1 1 d . . . . .
H26 H 0.850113 0.028182 0.119562 0.043 Uiso 1 1 calc R U . . .
C27 C 0.7432(3) -0.0018(3) 0.14250(19) 0.0315(13) Uani 1 1 d . . . . .
H27 H 0.760449 -0.044057 0.145704 0.038 Uiso 1 1 calc R U . . .
C28 C 1.1964(3) 0.0660(3) 0.13169(19) 0.0303(13) Uani 1 1 d . . . . .
C100 C 0.8296(3) 0.1483(2) 0.09675(17) 0.0234(12) Uani 1 1 d . . . . .
Sr1 Sr 0.53746(3) 0.01702(2) 0.27926(2) 0.02714(14) Uani 1 1 d . . . . .
Sr2 Sr 0.38262(3) 0.02094(2) 0.15036(2) 0.02205(13) Uani 1 1 d . . . . .
Sr3 Sr 0.00336(3) 0.36582(2) 0.30076(2) 0.03144(15) Uani 1 1 d . . . . .
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'
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
C29 O1 Sr2 127.2(3) . 2 ?
C29 O1 Sr3 134.7(3) . . ?
Sr2 O1 Sr3 96.17(11) 2 . ?
C29 O1 Sr1 91.4(3) . 2 ?
Sr2 O1 Sr1 96.41(11) 2 2 ?
Sr3 O1 Sr1 96.47(11) . 2 ?
C29 O13 Sr1 95.5(3) . 2 ?
C38 O14 Sr1 148.4(3) . . ?
C38 O14 Sr2 91.1(3) . . ?
Sr1 O14 Sr2 99.91(13) . . ?
C38 O15 Sr2 95.7(3) . . ?
C45 O16 Sr1 170.9(5) . 2_655 ?
O13 C29 O1 122.6(5) . . ?
O13 C29 C30 120.8(5) . . ?
O1 C29 C30 116.5(5) . . ?
O13 C29 Sr1 60.4(3) . 2 ?
O1 C29 Sr1 63.3(3) . 2 ?
C30 C29 Sr1 172.6(4) . 2 ?
C56 C30 C31 119.3(5) . . ?
C56 C30 C29 120.9(5) . . ?
C31 C30 C29 119.8(5) . . ?
C32 C31 C30 119.5(5) . . ?
C32 C31 H31 120.2 . . ?
C30 C31 H31 120.2 . . ?
C31 C32 C33 122.9(5) . . ?
C31 C32 H32 118.5 . . ?
C33 C32 H32 118.5 . . ?
C32 C33 C55 116.9(5) . . ?
C32 C33 C200 121.2(5) . . ?
C55 C33 C200 121.4(4) . . ?
C40 C34 C35 118.1(5) . . ?
C40 C34 C200 121.3(5) . . ?
C35 C34 C200 119.9(4) . . ?
C36 C35 C34 121.3(5) . . ?
C36 C35 H35 119.4 . . ?
C34 C35 H35 119.4 . . ?
C35 C36 C37 119.6(5) . . ?
C35 C36 H36 120.2 . . ?
C37 C36 H36 120.2 . . ?
C36 C37 C39 119.1(5) . . ?
C36 C37 C38 119.0(5) . . ?
C39 C37 C38 121.8(5) . . ?
O14 C38 O15 122.7(5) . . ?
O14 C38 C37 118.6(5) . . ?
O15 C38 C37 118.7(5) . . ?
O14 C38 Sr2 63.8(3) . . ?
O15 C38 Sr2 59.2(3) . . ?
C37 C38 Sr2 174.6(3) . . ?
C40 C39 C37 119.9(5) . . ?
C40 C39 H39 120.1 . . ?
C37 C39 H39 120.1 . . ?
C39 C40 C34 122.0(5) . . ?
C39 C40 H40 119.0 . . ?
C34 C40 H40 119.0 . . ?
C47 C41 C42 117.9(5) . . ?
C47 C41 C200 122.2(5) . . ?
C42 C41 C200 119.6(5) . . ?
C41 C42 C43 121.6(5) . . ?
C41 C42 H42 119.2 . . ?
C43 C42 H42 119.2 . . ?
C44 C43 C42 120.0(6) . . ?
C44 C43 H43 120.0 . . ?
C42 C43 H43 120.0 . . ?
C43 C44 C46 117.9(5) . . ?
C43 C44 C45 119.6(6) . . ?
C46 C44 C45 122.5(5) . . ?
O16 C45 O17B 116.5(8) . . ?
O16 C45 O17A 121.4(7) . . ?
O16 C45 C44 121.0(5) . . ?
O17B C45 C44 112.2(8) . . ?
O17A C45 C44 115.8(7) . . ?
C47 C46 C44 121.2(5) . . ?
C47 C46 H46 119.4 . . ?
C44 C46 H46 119.4 . . ?
C46 C47 C41 121.3(6) . . ?
C46 C47 H47 119.3 . . ?
C41 C47 H47 119.3 . . ?
C49 C48 C54 117.9(5) . . ?
C49 C48 C200 121.4(5) . . ?
C54 C48 C200 120.3(5) . . ?
C48 C49 C50 120.3(5) . . ?
C48 C49 H49 119.8 . . ?
C50 C49 H49 119.8 . . ?
C51 C50 C49 121.9(5) . . ?
C51 C50 H50 119.1 . . ?
C49 C50 H50 119.1 . . ?
C50 C51 C53 118.6(5) . . ?
C50 C51 C52 121.8(5) . . ?
C53 C51 C52 119.6(5) . . ?
O19 C52 O18 124.8(5) . . ?
O19 C52 C51 120.8(5) . . ?
O18 C52 C51 114.4(5) . . ?
C54 C53 C51 119.2(5) . . ?
C54 C53 H53 120.4 . . ?
C51 C53 H53 120.4 . . ?
C53 C54 C48 122.1(5) . . ?
C53 C54 H54 119.0 . . ?
C48 C54 H54 119.0 . . ?
C56 C55 C33 119.7(5) . . ?
C56 C55 H55 120.2 . . ?
C33 C55 H55 120.2 . . ?
C30 C56 C55 121.3(5) . . ?
C30 C56 H56 119.4 . . ?
C55 C56 H56 119.4 . . ?
C33 C200 C48 114.1(4) . . ?
C33 C200 C41 112.3(4) . . ?
C48 C200 C41 102.6(4) . . ?
C33 C200 C34 102.5(4) . . ?
C48 C200 C34 112.0(4) . . ?
C41 C200 C34 113.8(4) . . ?
C2 O2 Sr2 133.3(3) . . ?
C2 O2 Sr1 129.9(3) . . ?
Sr2 O2 Sr1 96.73(11) . . ?
C2 O2 Sr3 88.1(3) . 2_545 ?
Sr2 O2 Sr3 93.18(10) . 2_545 ?
Sr1 O2 Sr3 91.90(10) . 2_545 ?
C1 O3 Sr2 158.0(3) . 3_655 ?
C1 O3 Sr3 92.3(3) . 4_665 ?
Sr2 O3 Sr3 98.04(11) 3_655 4_665 ?
C1 O4 Sr3 94.2(3) . 4_665 ?
C2 O5 Sr3 99.5(3) . 2_545 ?
C17 O6 Sr3 147.1(3) . 1_655 ?
C17 O6 Sr1 93.6(3) . 2_655 ?
Sr3 O6 Sr1 101.55(12) 1_655 2_655 ?
C17 O7 Sr1 94.5(3) . 2_655 ?
C28 O10 Sr2 94.4(3) . 1_655 ?
C28 O11 Sr2 95.1(3) . 1_655 ?
O3 C1 O4 123.3(5) . . ?
O3 C1 C10 119.6(5) . . ?
O4 C1 C10 117.0(5) . . ?
O3 C1 Sr3 63.1(3) . 4_665 ?
O4 C1 Sr3 60.3(3) . 4_665 ?
C10 C1 Sr3 176.7(4) . 4_665 ?
O5 C2 O2 123.6(5) . . ?
O5 C2 C3 118.7(5) . . ?
O2 C2 C3 117.6(5) . . ?
O5 C2 Sr3 56.8(3) . 2_545 ?
O2 C2 Sr3 66.8(3) . 2_545 ?
C3 C2 Sr3 175.6(4) . 2_545 ?
C4 C3 C27 117.4(5) . . ?
C4 C3 C2 123.0(4) . . ?
C27 C3 C2 119.6(5) . . ?
C3 C4 C5 121.7(5) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 H4 119.1 . . ?
C6 C5 C4 120.8(5) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 C26 118.1(5) . . ?
C5 C6 C100 121.6(5) . . ?
C26 C6 C100 120.0(4) . . ?
C12 C7 C8 117.3(5) . . ?
C12 C7 C100 121.2(4) . . ?
C8 C7 C100 121.1(4) . . ?
C9 C8 C7 121.8(5) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
C8 C9 C10 120.7(5) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C9 C10 C11 117.1(5) . . ?
C9 C10 C1 121.3(5) . . ?
C11 C10 C1 121.5(5) . . ?
C12 C11 C10 120.5(5) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C7 C12 C11 122.6(5) . . ?
C7 C12 H12 118.7 . . ?
C11 C12 H12 118.7 . . ?
C19 C13 C14 117.8(5) . . ?
C19 C13 C100 119.2(4) . . ?
C14 C13 C100 122.6(5) . . ?
C13 C14 C15 120.1(5) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 121.3(5) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C15 C16 C18 119.1(5) . . ?
C15 C16 C17 120.8(5) . . ?
C18 C16 C17 120.0(5) . . ?
O7 C17 O6 121.3(5) . . ?
O7 C17 C16 120.8(5) . . ?
O6 C17 C16 117.9(5) . . ?
O7 C17 Sr1 60.7(3) . 2_655 ?
O6 C17 Sr1 61.0(3) . 2_655 ?
C16 C17 Sr1 174.2(4) . 2_655 ?
C16 C18 C19 119.7(5) . . ?
C16 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C13 C19 C18 122.0(5) . . ?
C13 C19 H19 119.0 . . ?
C18 C19 H19 119.0 . . ?
C25 C20 C21 116.5(5) . . ?
C25 C20 C100 120.6(5) . . ?
C21 C20 C100 122.8(4) . . ?
C22 C21 C20 120.3(5) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 122.8(6) . . ?
C21 C22 H22 118.6 . . ?
C23 C22 H22 118.6 . . ?
C24 C23 C22 116.8(5) . . ?
C24 C23 C28 119.5(4) . . ?
C22 C23 C28 123.5(5) . . ?
C23 C24 C25 120.1(5) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C20 C25 C24 123.1(5) . . ?
C20 C25 H25 118.5 . . ?
C24 C25 H25 118.5 . . ?
C6 C26 C27 122.1(5) . . ?
C6 C26 H26 118.9 . . ?
C27 C26 H26 118.9 . . ?
C26 C27 C3 119.9(5) . . ?
C26 C27 H27 120.1 . . ?
C3 C27 H27 120.1 . . ?
O10 C28 O11 120.9(5) . . ?
O10 C28 C23 119.9(5) . . ?
O11 C28 C23 119.2(4) . . ?
O10 C28 Sr2 61.2(3) . 1_655 ?
O11 C28 Sr2 59.7(2) . 1_655 ?
C23 C28 Sr2 178.4(4) . 1_655 ?
C13 C100 C20 102.9(4) . . ?
C13 C100 C6 115.4(4) . . ?
C20 C100 C6 111.2(4) . . ?
C13 C100 C7 111.9(4) . . ?
C20 C100 C7 114.1(4) . . ?
C6 C100 C7 101.7(4) . . ?
O16 Sr1 O14 105.55(15) 2_645 . ?
O16 Sr1 O13 160.27(15) 2_645 2_545 ?
O14 Sr1 O13 89.29(15) . 2_545 ?
O16 Sr1 O7 84.75(16) 2_645 2_645 ?
O14 Sr1 O7 164.82(14) . 2_645 ?
O13 Sr1 O7 78.37(16) 2_545 2_645 ?
O16 Sr1 O6 89.92(13) 2_645 2_645 ?
O14 Sr1 O6 138.94(11) . 2_645 ?
O13 Sr1 O6 87.06(15) 2_545 2_645 ?
O7 Sr1 O6 50.08(11) 2_645 2_645 ?
O16 Sr1 O1 146.91(13) 2_645 2_545 ?
O14 Sr1 O1 74.64(12) . 2_545 ?
O13 Sr1 O1 49.15(11) 2_545 2_545 ?
O7 Sr1 O1 102.97(13) 2_645 2_545 ?
O6 Sr1 O1 72.24(11) 2_645 2_545 ?
O16 Sr1 O2 85.93(13) 2_645 . ?
O14 Sr1 O2 70.79(11) . . ?
O13 Sr1 O2 111.64(11) 2_545 . ?
O7 Sr1 O2 121.90(12) 2_645 . ?
O6 Sr1 O2 72.74(10) 2_645 . ?
O1 Sr1 O2 62.50(10) 2_545 . ?
O16 Sr1 C29 170.41(15) 2_645 2_545 ?
O14 Sr1 C29 78.89(14) . 2_545 ?
O13 Sr1 C29 24.13(13) 2_545 2_545 ?
O7 Sr1 C29 92.69(15) 2_645 2_545 ?
O6 Sr1 C29 81.39(14) 2_645 2_545 ?
O1 Sr1 C29 25.29(12) 2_545 2_545 ?
O2 Sr1 C29 87.60(13) . 2_545 ?
O16 Sr1 C17 88.70(16) 2_645 2_645 ?
O14 Sr1 C17 160.73(14) . 2_645 ?
O13 Sr1 C17 80.26(16) 2_545 2_645 ?
O7 Sr1 C17 24.79(13) 2_645 2_645 ?
O6 Sr1 C17 25.40(13) 2_645 2_645 ?
O1 Sr1 C17 86.33(13) 2_545 2_645 ?
O2 Sr1 C17 97.96(14) . 2_645 ?
C29 Sr1 C17 85.18(15) 2_545 2_645 ?
O16 Sr1 Sr2 118.10(11) 2_645 . ?
O14 Sr1 Sr2 41.98(8) . . ?
O13 Sr1 Sr2 81.63(9) 2_545 . ?
O7 Sr1 Sr2 141.95(10) 2_645 . ?
O6 Sr1 Sr2 97.12(7) 2_645 . ?
O1 Sr1 Sr2 41.27(7) 2_545 . ?
O2 Sr1 Sr2 40.37(7) . . ?
C29 Sr1 Sr2 59.52(11) 2_545 . ?
C17 Sr1 Sr2 119.75(11) 2_645 . ?
O16 Sr1 Sr3 109.04(10) 2_645 2_545 ?
O14 Sr1 Sr3 101.25(8) . 2_545 ?
O13 Sr1 Sr3 79.92(11) 2_545 2_545 ?
O7 Sr1 Sr3 85.40(9) 2_645 2_545 ?
O6 Sr1 Sr3 37.93(7) 2_645 2_545 ?
O1 Sr1 Sr3 41.40(8) 2_545 2_545 ?
O2 Sr1 Sr3 45.05(7) . 2_545 ?
C29 Sr1 Sr3 61.48(11) 2_545 2_545 ?
C17 Sr1 Sr3 61.14(11) 2_645 2_545 ?
Sr2 Sr1 Sr3 59.283(12) . 2_545 ?
O3 Sr2 O2 81.37(11) 3_655 . ?
O3 Sr2 O15 159.51(12) 3_655 . ?
O2 Sr2 O15 90.91(11) . . ?
O3 Sr2 O11 95.39(12) 3_655 1_455 ?
O2 Sr2 O11 168.45(11) . 1_455 ?
O15 Sr2 O11 88.41(12) . 1_455 ?
O3 Sr2 O1 71.46(11) 3_655 2_545 ?
O2 Sr2 O1 64.99(10) . 2_545 ?
O15 Sr2 O1 122.26(11) . 2_545 ?
O11 Sr2 O1 124.61(11) 1_455 2_545 ?
O3 Sr2 O10 112.31(12) 3_655 1_455 ?
O2 Sr2 O10 141.81(11) . 1_455 ?
O15 Sr2 O10 85.40(12) . 1_455 ?
O11 Sr2 O10 49.61(10) 1_455 1_455 ?
O1 Sr2 O10 85.12(11) 2_545 1_455 ?
O3 Sr2 O14 140.58(11) 3_655 . ?
O2 Sr2 O14 69.74(11) . . ?
O15 Sr2 O14 50.04(11) . . ?
O11 Sr2 O14 117.84(11) 1_455 . ?
O1 Sr2 O14 72.24(11) 2_545 . ?
O10 Sr2 O14 79.13(11) 1_455 . ?
O3 Sr2 C38 161.80(13) 3_655 . ?
O2 Sr2 C38 80.87(13) . . ?
O15 Sr2 C38 25.04(13) . . ?
O11 Sr2 C38 102.81(13) 1_455 . ?
O1 Sr2 C38 97.31(14) 2_545 . ?
O10 Sr2 C38 79.97(13) 1_455 . ?
O14 Sr2 C38 25.08(12) . . ?
O3 Sr2 C28 105.59(14) 3_655 1_455 ?
O2 Sr2 C28 166.09(13) . 1_455 ?
O15 Sr2 C28 86.22(14) . 1_455 ?
O11 Sr2 C28 25.22(12) 1_455 1_455 ?
O1 Sr2 C28 105.30(12) 2_545 1_455 ?
O10 Sr2 C28 24.39(12) 1_455 1_455 ?
O14 Sr2 C28 98.28(13) . 1_455 ?
C38 Sr2 C28 91.00(14) . 1_455 ?
O3 Sr2 Sr3 42.68(8) 3_655 2_545 ?
O2 Sr2 Sr3 45.72(8) . 2_545 ?
O15 Sr2 Sr3 136.06(8) . 2_545 ?
O11 Sr2 Sr3 135.44(9) 1_455 2_545 ?
O1 Sr2 Sr3 42.07(8) 2_545 2_545 ?
O10 Sr2 Sr3 122.38(9) 1_455 2_545 ?
O14 Sr2 Sr3 98.63(8) . 2_545 ?
C38 Sr2 Sr3 119.67(10) . 2_545 ?
C28 Sr2 Sr3 133.64(11) 1_455 2_545 ?
O3 Sr2 Sr1 102.70(8) 3_655 . ?
O2 Sr2 Sr1 42.90(8) . . ?
O15 Sr2 Sr1 83.69(8) . . ?
O11 Sr2 Sr1 148.23(8) 1_455 . ?
O1 Sr2 Sr1 42.33(7) 2_545 . ?
O10 Sr2 Sr1 98.97(7) 1_455 . ?
O14 Sr2 Sr1 38.11(8) . . ?
C38 Sr2 Sr1 60.96(11) . . ?
C28 Sr2 Sr1 123.20(10) 1_455 . ?
Sr3 Sr2 Sr1 60.533(12) 2_545 . ?
O6 Sr3 O5 84.29(12) 1_455 2 ?
O6 Sr3 O4 169.00(13) 1_455 4_566 ?
O5 Sr3 O4 90.35(14) 2 4_566 ?
O6 Sr3 O1 75.14(11) 1_455 . ?
O5 Sr3 O1 110.36(11) 2 . ?
O4 Sr3 O1 115.80(12) 4_566 . ?
O6 Sr3 O3 139.48(11) 1_455 4_566 ?
O5 Sr3 O3 91.85(11) 2 4_566 ?
O4 Sr3 O3 50.07(12) 4_566 4_566 ?
O1 Sr3 O3 68.53(10) . 4_566 ?
O6 Sr3 O2 73.14(10) 1_455 2 ?
O5 Sr3 O2 48.73(11) 2 2 ?
O4 Sr3 O2 110.25(12) 4_566 2 ?
O1 Sr3 O2 61.63(10) . 2 ?
O3 Sr3 O2 74.22(10) 4_566 2 ?
O6 Sr3 C1 163.40(14) 1_455 4_566 ?
O5 Sr3 C1 90.71(13) 2 4_566 ?
O4 Sr3 C1 25.49(14) 4_566 4_566 ?
O1 Sr3 C1 91.93(13) . 4_566 ?
O3 Sr3 C1 24.59(12) 4_566 4_566 ?
O2 Sr3 C1 91.66(13) 2 4_566 ?
O6 Sr3 C2 77.66(12) 1_455 2 ?
O5 Sr3 C2 23.62(12) 2 2 ?
O4 Sr3 C2 100.99(14) 4_566 2 ?
O1 Sr3 C2 86.74(13) . 2 ?
O3 Sr3 C2 82.88(11) 4_566 2 ?
O2 Sr3 C2 25.11(12) 2 2 ?
C1 Sr3 C2 91.46(13) 4_566 2 ?
O6 Sr3 Sr2 100.60(8) 1_455 2 ?
O5 Sr3 Sr2 80.75(9) 2 2 ?
O4 Sr3 Sr2 87.96(9) 4_566 2 ?
O1 Sr3 Sr2 41.76(7) . 2 ?
O3 Sr3 Sr2 39.28(7) 4_566 2 ?
O2 Sr3 Sr2 41.09(7) 2 2 ?
C1 Sr3 Sr2 62.91(11) 4_566 2 ?
C2 Sr3 Sr2 60.59(9) 2 2 ?
O6 Sr3 Sr1 40.51(8) 1_455 2 ?
O5 Sr3 Sr1 81.35(9) 2 2 ?
O4 Sr3 Sr1 147.91(9) 4_566 2 ?
O1 Sr3 Sr1 42.14(7) . 2 ?
O3 Sr3 Sr1 99.00(7) 4_566 2 ?
O2 Sr3 Sr1 43.06(7) 2 2 ?
C1 Sr3 Sr1 123.09(11) 4_566 2 ?
C2 Sr3 Sr1 61.57(10) 2 2 ?
Sr2 Sr3 Sr1 60.185(12) 2 2 ?
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
O1 C29 1.278(6) . ?
O1 Sr2 2.617(3) 2 ?
O1 Sr3 2.633(4) . ?
O1 Sr1 2.672(3) 2 ?
O13 C29 1.228(6) . ?
O13 Sr1 2.611(4) 2 ?
O14 C38 1.265(7) . ?
O14 Sr1 2.470(4) . ?
O14 Sr2 2.677(4) . ?
O15 C38 1.269(6) . ?
O15 Sr2 2.576(4) . ?
O16 C45 1.241(7) . ?
O17A C45 1.282(5) . ?
O17B C45 1.270(5) . ?
O18 C52 1.286(4) . ?
O19 C52 1.234(6) . ?
C29 C30 1.516(7) . ?
C29 Sr1 2.990(5) 2 ?
C30 C56 1.353(7) . ?
C30 C31 1.391(7) . ?
C31 C32 1.362(7) . ?
C31 H31 0.9500 . ?
C32 C33 1.375(7) . ?
C32 H32 0.9500 . ?
C33 C55 1.409(7) . ?
C33 C200 1.537(7) . ?
C34 C40 1.379(7) . ?
C34 C35 1.387(7) . ?
C34 C200 1.554(7) . ?
C35 C36 1.381(7) . ?
C35 H35 0.9500 . ?
C36 C37 1.394(7) . ?
C36 H36 0.9500 . ?
C37 C39 1.398(8) . ?
C37 C38 1.505(7) . ?
C38 Sr2 2.983(6) . ?
C39 C40 1.360(7) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C47 1.389(7) . ?
C41 C42 1.393(7) . ?
C41 C200 1.551(7) . ?
C42 C43 1.399(8) . ?
C42 H42 0.9500 . ?
C43 C44 1.397(8) . ?
C43 H43 0.9500 . ?
C44 C46 1.410(8) . ?
C44 C45 1.458(4) . ?
C46 C47 1.376(8) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C48 C49 1.394(7) . ?
C48 C54 1.392(7) . ?
C48 C200 1.547(7) . ?
C49 C50 1.394(7) . ?
C49 H49 0.9500 . ?
C50 C51 1.361(7) . ?
C50 H50 0.9500 . ?
C51 C53 1.422(7) . ?
C51 C52 1.482(7) . ?
C53 C54 1.383(7) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.395(7) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
O2 C2 1.294(6) . ?
O2 Sr2 2.572(3) . ?
O2 Sr1 2.702(3) . ?
O3 C1 1.248(6) . ?
O4 C1 1.293(7) . ?
O5 C2 1.238(6) . ?
O6 C17 1.287(6) . ?
O7 C17 1.259(7) . ?
O10 C28 1.244(6) . ?
O11 C28 1.285(6) . ?
C1 C10 1.496(7) . ?
C2 C3 1.499(7) . ?
C3 C4 1.382(7) . ?
C3 C27 1.402(7) . ?
C4 C5 1.391(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.372(7) . ?
C5 H5 0.9500 . ?
C6 C26 1.377(8) . ?
C6 C100 1.567(7) . ?
C7 C12 1.358(7) . ?
C7 C8 1.390(7) . ?
C7 C100 1.575(7) . ?
C8 C9 1.379(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.388(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.413(8) . ?
C11 C12 1.372(7) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C19 1.375(7) . ?
C13 C14 1.392(7) . ?
C13 C100 1.509(7) . ?
C14 C15 1.404(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.355(7) . ?
C15 H15 0.9500 . ?
C16 C18 1.390(7) . ?
C16 C17 1.501(8) . ?
C18 C19 1.391(7) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.353(7) . ?
C20 C21 1.397(7) . ?
C20 C100 1.555(7) . ?
C21 C22 1.364(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.376(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.368(7) . ?
C23 C28 1.501(7) . ?
C24 C25 1.393(7) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.389(8) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
Sr1 Sr2 3.9428(6) . ?
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 O13 C29 O1 12.2(6) 2 . . . ?
Sr1 O13 C29 C30 -171.5(5) 2 . . . ?
Sr2 O1 C29 O13 -111.1(6) 2 . . . ?
Sr3 O1 C29 O13 88.7(7) . . . . ?
Sr1 O1 C29 O13 -11.9(6) 2 . . . ?
Sr2 O1 C29 C30 72.6(6) 2 . . . ?
Sr3 O1 C29 C30 -87.7(6) . . . . ?
Sr1 O1 C29 C30 171.7(4) 2 . . . ?
Sr2 O1 C29 Sr1 -99.2(3) 2 . . 2 ?
Sr3 O1 C29 Sr1 100.6(4) . . . 2 ?
O13 C29 C30 C56 -175.0(6) . . . . ?
O1 C29 C30 C56 1.5(8) . . . . ?
O13 C29 C30 C31 7.7(9) . . . . ?
O1 C29 C30 C31 -175.8(5) . . . . ?
C56 C30 C31 C32 -2.0(9) . . . . ?
C29 C30 C31 C32 175.4(5) . . . . ?
C30 C31 C32 C33 -1.2(9) . . . . ?
C31 C32 C33 C55 5.5(8) . . . . ?
C31 C32 C33 C200 177.3(5) . . . . ?
C40 C34 C35 C36 0.6(7) . . . . ?
C200 C34 C35 C36 171.2(4) . . . . ?
C34 C35 C36 C37 -1.3(8) . . . . ?
C35 C36 C37 C39 -0.5(7) . . . . ?
C35 C36 C37 C38 -176.0(5) . . . . ?
Sr1 O14 C38 O15 104.5(7) . . . . ?
Sr2 O14 C38 O15 -6.6(5) . . . . ?
Sr1 O14 C38 C37 -74.3(8) . . . . ?
Sr2 O14 C38 C37 174.5(4) . . . . ?
Sr1 O14 C38 Sr2 111.1(6) . . . . ?
Sr2 O15 C38 O14 6.9(5) . . . . ?
Sr2 O15 C38 C37 -174.3(4) . . . . ?
C36 C37 C38 O14 -17.1(7) . . . . ?
C39 C37 C38 O14 167.5(5) . . . . ?
C36 C37 C38 O15 164.0(5) . . . . ?
C39 C37 C38 O15 -11.4(7) . . . . ?
C36 C37 C39 C40 3.1(8) . . . . ?
C38 C37 C39 C40 178.4(5) . . . . ?
C37 C39 C40 C34 -3.9(8) . . . . ?
C35 C34 C40 C39 2.1(8) . . . . ?
C200 C34 C40 C39 -168.4(5) . . . . ?
C47 C41 C42 C43 2.0(8) . . . . ?
C200 C41 C42 C43 176.6(5) . . . . ?
C41 C42 C43 C44 -2.5(9) . . . . ?
C42 C43 C44 C46 2.0(9) . . . . ?
C42 C43 C44 C45 -178.6(6) . . . . ?
C43 C44 C45 O16 167.2(7) . . . . ?
C46 C44 C45 O16 -13.5(12) . . . . ?
C43 C44 C45 O17B -49.0(13) . . . . ?
C46 C44 C45 O17B 130.4(11) . . . . ?
C43 C44 C45 O17A 2.4(13) . . . . ?
C46 C44 C45 O17A -178.3(10) . . . . ?
C43 C44 C46 C47 -1.3(9) . . . . ?
C45 C44 C46 C47 179.4(6) . . . . ?
C44 C46 C47 C41 0.9(9) . . . . ?
C42 C41 C47 C46 -1.3(8) . . . . ?
C200 C41 C47 C46 -175.6(5) . . . . ?
C54 C48 C49 C50 -1.9(8) . . . . ?
C200 C48 C49 C50 -174.3(5) . . . . ?
C48 C49 C50 C51 0.8(8) . . . . ?
C49 C50 C51 C53 -0.8(8) . . . . ?
C49 C50 C51 C52 -178.8(5) . . . . ?
C50 C51 C52 O19 161.6(6) . . . . ?
C53 C51 C52 O19 -16.5(8) . . . . ?
C50 C51 C52 O18 -18.7(8) . . . . ?
C53 C51 C52 O18 163.2(5) . . . . ?
C50 C51 C53 C54 1.9(8) . . . . ?
C52 C51 C53 C54 180.0(5) . . . . ?
C51 C53 C54 C48 -3.1(8) . . . . ?
C49 C48 C54 C53 3.1(8) . . . . ?
C200 C48 C54 C53 175.6(5) . . . . ?
C32 C33 C55 C56 -6.7(8) . . . . ?
C200 C33 C55 C56 -178.5(5) . . . . ?
C31 C30 C56 C55 0.6(9) . . . . ?
C29 C30 C56 C55 -176.7(5) . . . . ?
C33 C55 C56 C30 3.9(8) . . . . ?
C32 C33 C200 C48 157.9(5) . . . . ?
C55 C33 C200 C48 -30.7(7) . . . . ?
C32 C33 C200 C41 41.7(7) . . . . ?
C55 C33 C200 C41 -146.9(5) . . . . ?
C32 C33 C200 C34 -80.8(6) . . . . ?
C55 C33 C200 C34 90.6(5) . . . . ?
C49 C48 C200 C33 -35.0(7) . . . . ?
C54 C48 C200 C33 152.8(5) . . . . ?
C49 C48 C200 C41 86.7(6) . . . . ?
C54 C48 C200 C41 -85.5(6) . . . . ?
C49 C48 C200 C34 -150.8(5) . . . . ?
C54 C48 C200 C34 37.0(7) . . . . ?
C47 C41 C200 C33 -153.8(5) . . . . ?
C42 C41 C200 C33 31.9(6) . . . . ?
C47 C41 C200 C48 83.3(6) . . . . ?
C42 C41 C200 C48 -91.0(5) . . . . ?
C47 C41 C200 C34 -37.9(7) . . . . ?
C42 C41 C200 C34 147.8(5) . . . . ?
C40 C34 C200 C33 85.5(5) . . . . ?
C35 C34 C200 C33 -84.8(5) . . . . ?
C40 C34 C200 C48 -151.8(5) . . . . ?
C35 C34 C200 C48 37.9(6) . . . . ?
C40 C34 C200 C41 -36.0(6) . . . . ?
C35 C34 C200 C41 153.8(4) . . . . ?
Sr2 O3 C1 O4 -120.7(8) 3_655 . . . ?
Sr3 O3 C1 O4 -2.3(6) 4_665 . . . ?
Sr2 O3 C1 C10 59.6(11) 3_655 . . . ?
Sr3 O3 C1 C10 177.9(4) 4_665 . . . ?
Sr2 O3 C1 Sr3 -118.3(9) 3_655 . . 4_665 ?
Sr3 O4 C1 O3 2.4(6) 4_665 . . . ?
Sr3 O4 C1 C10 -177.9(4) 4_665 . . . ?
Sr3 O5 C2 O2 -0.9(5) 2_545 . . . ?
Sr3 O5 C2 C3 179.6(3) 2_545 . . . ?
Sr2 O2 C2 O5 -91.8(6) . . . . ?
Sr1 O2 C2 O5 91.7(5) . . . . ?
Sr3 O2 C2 O5 0.8(5) 2_545 . . . ?
Sr2 O2 C2 C3 87.7(5) . . . . ?
Sr1 O2 C2 C3 -88.8(5) . . . . ?
Sr3 O2 C2 C3 -179.7(4) 2_545 . . . ?
Sr2 O2 C2 Sr3 -92.6(4) . . . 2_545 ?
Sr1 O2 C2 Sr3 90.9(3) . . . 2_545 ?
O5 C2 C3 C4 165.9(5) . . . . ?
O2 C2 C3 C4 -13.6(7) . . . . ?
O5 C2 C3 C27 -12.1(7) . . . . ?
O2 C2 C3 C27 168.3(4) . . . . ?
C27 C3 C4 C5 1.0(8) . . . . ?
C2 C3 C4 C5 -177.1(5) . . . . ?
C3 C4 C5 C6 -0.7(8) . . . . ?
C4 C5 C6 C26 -0.5(8) . . . . ?
C4 C5 C6 C100 173.4(4) . . . . ?
C12 C7 C8 C9 0.9(8) . . . . ?
C100 C7 C8 C9 174.0(5) . . . . ?
C7 C8 C9 C10 2.2(9) . . . . ?
C8 C9 C10 C11 -3.1(8) . . . . ?
C8 C9 C10 C1 179.7(5) . . . . ?
O3 C1 C10 C9 0.1(8) . . . . ?
O4 C1 C10 C9 -179.7(5) . . . . ?
O3 C1 C10 C11 -177.0(5) . . . . ?
O4 C1 C10 C11 3.3(8) . . . . ?
C9 C10 C11 C12 1.1(9) . . . . ?
C1 C10 C11 C12 178.2(6) . . . . ?
C8 C7 C12 C11 -3.0(9) . . . . ?
C100 C7 C12 C11 -176.1(6) . . . . ?
C10 C11 C12 C7 2.0(10) . . . . ?
C19 C13 C14 C15 0.6(8) . . . . ?
C100 C13 C14 C15 173.5(5) . . . . ?
C13 C14 C15 C16 0.8(9) . . . . ?
C14 C15 C16 C18 -1.1(8) . . . . ?
C14 C15 C16 C17 -177.2(5) . . . . ?
Sr1 O7 C17 O6 7.4(6) 2_655 . . . ?
Sr1 O7 C17 C16 -173.5(4) 2_655 . . . ?
Sr3 O6 C17 O7 -125.2(6) 1_655 . . . ?
Sr1 O6 C17 O7 -7.4(6) 2_655 . . . ?
Sr3 O6 C17 C16 55.6(8) 1_655 . . . ?
Sr1 O6 C17 C16 173.5(4) 2_655 . . . ?
Sr3 O6 C17 Sr1 -117.9(6) 1_655 . . 2_655 ?
C15 C16 C17 O7 -163.0(5) . . . . ?
C18 C16 C17 O7 20.9(8) . . . . ?
C15 C16 C17 O6 16.1(8) . . . . ?
C18 C16 C17 O6 -159.9(5) . . . . ?
C15 C16 C18 C19 0.2(8) . . . . ?
C17 C16 C18 C19 176.3(5) . . . . ?
C14 C13 C19 C18 -1.5(8) . . . . ?
C100 C13 C19 C18 -174.7(5) . . . . ?
C16 C18 C19 C13 1.2(9) . . . . ?
C25 C20 C21 C22 0.2(10) . . . . ?
C100 C20 C21 C22 176.0(6) . . . . ?
C20 C21 C22 C23 5.2(12) . . . . ?
C21 C22 C23 C24 -7.5(11) . . . . ?
C21 C22 C23 C28 177.1(7) . . . . ?
C22 C23 C24 C25 4.7(9) . . . . ?
C28 C23 C24 C25 -179.7(5) . . . . ?
C21 C20 C25 C24 -2.9(9) . . . . ?
C100 C20 C25 C24 -178.8(5) . . . . ?
C23 C24 C25 C20 0.4(9) . . . . ?
C5 C6 C26 C27 1.4(8) . . . . ?
C100 C6 C26 C27 -172.6(5) . . . . ?
C6 C26 C27 C3 -1.1(8) . . . . ?
C4 C3 C27 C26 -0.1(7) . . . . ?
C2 C3 C27 C26 178.0(4) . . . . ?
Sr2 O10 C28 O11 1.5(6) 1_655 . . . ?
Sr2 O10 C28 C23 178.8(5) 1_655 . . . ?
Sr2 O11 C28 O10 -1.6(6) 1_655 . . . ?
Sr2 O11 C28 C23 -178.8(4) 1_655 . . . ?
C24 C23 C28 O10 -8.8(8) . . . . ?
C22 C23 C28 O10 166.4(6) . . . . ?
C24 C23 C28 O11 168.4(5) . . . . ?
C22 C23 C28 O11 -16.3(9) . . . . ?
C19 C13 C100 C20 76.8(5) . . . . ?
C14 C13 C100 C20 -96.1(5) . . . . ?
C19 C13 C100 C6 -161.9(4) . . . . ?
C14 C13 C100 C6 25.2(7) . . . . ?
C19 C13 C100 C7 -46.2(6) . . . . ?
C14 C13 C100 C7 140.9(5) . . . . ?
C25 C20 C100 C13 72.6(6) . . . . ?
C21 C20 C100 C13 -103.1(6) . . . . ?
C25 C20 C100 C6 -51.5(6) . . . . ?
C21 C20 C100 C6 132.8(6) . . . . ?
C25 C20 C100 C7 -165.8(5) . . . . ?
C21 C20 C100 C7 18.4(7) . . . . ?
C5 C6 C100 C13 42.5(6) . . . . ?
C26 C6 C100 C13 -143.7(5) . . . . ?
C5 C6 C100 C20 159.2(5) . . . . ?
C26 C6 C100 C20 -27.0(6) . . . . ?
C5 C6 C100 C7 -78.9(5) . . . . ?
C26 C6 C100 C7 94.9(5) . . . . ?
C12 C7 C100 C13 -26.1(7) . . . . ?
C8 C7 C100 C13 161.1(5) . . . . ?
C12 C7 C100 C20 -142.5(5) . . . . ?
C8 C7 C100 C20 44.7(6) . . . . ?
C12 C7 C100 C6 97.7(5) . . . . ?
C8 C7 C100 C6 -75.1(5) . . . . ?
