#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:04:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179091 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/53/4305341.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_4305341
loop_
_publ_author_name
'Ramaswamy Murugavel'
'Subramaniam Kuppuswamy'
'Sören Randoll'
_publ_contact_author_address
;
Department of Chemistry
Indian Institute of Technology Bombay
Powai
Mumbai
Maharastra
400076
INDIA
;
_publ_contact_author_email       RMV@CHEM.IITB.AC.IN
_publ_contact_author_name        'Ramaswamy Murugavel'
_publ_section_title
;
Cooperative Binding of Phosphate Anion and a Neutral Nitrogen Donor to
Alkaline-Earth Metal Ions. Investigation of Group 2 Metal-Organophosphate
Interaction in the Absence and Presence of 1,10-Phenanthroline
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6028
_journal_page_last               6039
_journal_paper_doi               10.1021/ic8003239
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C48 H54 N4 O9 P2 Sr1'
_chemical_formula_sum            'C48 H54 N4 O9 P2 Sr'
_chemical_formula_weight         980.51
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.663(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.6801(3)
_cell_length_b                   16.4962(4)
_cell_length_c                   21.7229(5)
_cell_measurement_reflns_used    20462
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      32.5171
_cell_measurement_theta_min      2.9610
_cell_volume                     4832.6(2)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      133(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details
;
  1 phi   -149.00  -89.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
 -40.0000  -29.1908    0.0000     -        0.0000    0.0000 60

  2 omega  -50.00    2.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -29.1908  -75.0000    0.0000    0.0000    0.0000 52

  3 phi    -31.00   31.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
 -40.0000  -29.1908    0.0000     -        0.0000    0.0000 62

  4 omega  -60.00  -11.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -      -29.1908   75.0000    0.0000    0.0000    0.0000 49

  5 phi     89.00  149.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
 -40.0000  -29.1908    0.0000     -        0.0000    0.0000 60

  6 omega   -1.00   51.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       29.6596   75.0000  120.0000    0.0000    0.0000 52

  7 omega   -1.00   51.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       29.6596   75.0000  240.0000    0.0000    0.0000 52

  8 omega   13.00   56.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       29.6596  -75.0000  240.0000    0.0000    0.0000 43

  9 omega    9.00   50.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       29.6596  -75.0000  120.0000    0.0000    0.0000 41

 10 phi    -50.00    1.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
  40.0000   29.6596    0.0000     -        0.0000    0.0000 51

 11 omega  -32.00   -4.00   1.0000   40.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
    -       29.6596  129.0000   89.0000    0.0000    0.0000 28

;
_diffrn_measurement_device_type  'OXFORD DIFFRACTIOM X CALIBUR-S'
_diffrn_measurement_method       'omega(w)-q scan'
_diffrn_orient_matrix_UB_11      0.0060664935
_diffrn_orient_matrix_UB_12      0.0090807475
_diffrn_orient_matrix_UB_13      0.0322903269
_diffrn_orient_matrix_UB_21      0.0073151390
_diffrn_orient_matrix_UB_22      -0.0417022982
_diffrn_orient_matrix_UB_23      0.0071903348
_diffrn_orient_matrix_UB_31      0.0516943089
_diffrn_orient_matrix_UB_32      0.0048363406
_diffrn_orient_matrix_UB_33      0.0008635974
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            37199
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    1.240
_exptl_absorpt_correction_T_max  0.8077
_exptl_absorpt_correction_T_min  0.7388
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.544
_refine_diff_density_min         -0.383
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         8462
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0401P)²+1.5288P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0677
_refine_ls_wR_factor_ref         0.0796
_reflns_number_gt                6457
_reflns_number_total             8462
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8003239-file003_6.cif
_cod_data_source_block           newrm100
_cod_original_cell_volume        4832.65(19)
_cod_database_code               4305341
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'
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 0.702531(15) 0.423604(13) 0.064807(10) 0.01577(7) Uani 1 1 d . . .
P1 P 0.58330(4) 0.61190(4) -0.02249(3) 0.01742(14) Uani 1 1 d . . .
P2 P 0.62263(4) 0.34357(4) -0.09162(3) 0.01851(14) Uani 1 1 d . . .
O1 O 0.52329(11) 0.38638(10) 0.04989(8) 0.0212(4) Uani 1 1 d . . .
O2 O 0.63608(11) 0.53187(9) -0.01717(7) 0.0185(4) Uani 1 1 d . . .
O3 O 0.60365(11) 0.65417(10) 0.04320(8) 0.0231(4) Uani 1 1 d . . .
H3A H 0.5452 0.6825 0.0557 0.080 Uiso 1 1 d . . .
O4 O 0.64645(11) 0.66506(10) -0.06484(8) 0.0222(4) Uani 1 1 d . . .
O5 O 0.69662(11) 0.34695(9) -0.03367(7) 0.0202(4) Uani 1 1 d . . .
O6 O 0.53428(11) 0.28895(10) -0.09254(8) 0.0237(4) Uani 1 1 d . . .
O7 O 0.58759(12) 0.43205(10) -0.11145(8) 0.0249(4) Uani 1 1 d . . .
H7A H 0.6082 0.4637 -0.0776 0.080 Uiso 1 1 d . . .
O8 O 0.67906(11) 0.31717(10) -0.14772(8) 0.0231(4) Uani 1 1 d . . .
N1 N 0.85513(14) 0.53777(12) 0.09167(9) 0.0218(5) Uani 1 1 d . . .
N2 N 0.89238(14) 0.38359(13) 0.05389(9) 0.0228(5) Uani 1 1 d . . .
N3 N 0.79495(14) 0.38487(12) 0.18574(9) 0.0216(5) Uani 1 1 d . . .
N4 N 0.69805(14) 0.26956(12) 0.10739(10) 0.0232(5) Uani 1 1 d . . .
C1 C 0.60700(17) 0.73117(15) -0.10155(12) 0.0242(6) Uani 1 1 d . . .
C2 C 0.62671(19) 0.80898(16) -0.07812(13) 0.0303(6) Uani 1 1 d . . .
C3 C 0.5928(2) 0.87313(17) -0.11756(15) 0.0404(7) Uani 1 1 d . . .
H3 H 0.6050 0.9271 -0.1031 0.048 Uiso 1 1 calc R . .
C4 C 0.5426(2) 0.8604(2) -0.17655(16) 0.0455(8) Uani 1 1 d . . .
H4 H 0.5201 0.9053 -0.2024 0.055 Uiso 1 1 calc R . .
C5 C 0.5244(2) 0.78255(18) -0.19874(14) 0.0374(7) Uani 1 1 d . . .
H5 H 0.4890 0.7744 -0.2398 0.045 Uiso 1 1 calc R . .
C6 C 0.55739(18) 0.71570(16) -0.16186(12) 0.0284(6) Uani 1 1 d . . .
C7 C 0.6854(2) 0.82421(17) -0.01352(14) 0.0386(7) Uani 1 1 d . . .
H7 H 0.7016 0.7704 0.0068 0.046 Uiso 1 1 calc R . .
C8 C 0.6253(2) 0.8723(2) 0.02737(16) 0.0551(9) Uani 1 1 d . . .
H8A H 0.6656 0.8812 0.0686 0.083 Uiso 1 1 calc R . .
H8B H 0.5655 0.8419 0.0320 0.083 Uiso 1 1 calc R . .
H8C H 0.6064 0.9248 0.0077 0.083 Uiso 1 1 calc R . .
C9 C 0.7835(2) 0.86764(19) -0.01720(17) 0.0492(8) Uani 1 1 d . . .
H9A H 0.8199 0.8767 0.0251 0.074 Uiso 1 1 calc R . .
H9B H 0.7697 0.9199 -0.0384 0.074 Uiso 1 1 calc R . .
H9C H 0.8236 0.8341 -0.0407 0.074 Uiso 1 1 calc R . .
C10 C 0.54677(19) 0.63055(17) -0.18767(13) 0.0318(6) Uani 1 1 d . . .
H10 H 0.5379 0.5938 -0.1524 0.038 Uiso 1 1 calc R . .
C11 C 0.6421(2) 0.6054(2) -0.20979(16) 0.0531(9) Uani 1 1 d . . .
H11A H 0.6349 0.5501 -0.2266 0.080 Uiso 1 1 calc R . .
H11B H 0.6972 0.6071 -0.1746 0.080 Uiso 1 1 calc R . .
H11C H 0.6556 0.6427 -0.2425 0.080 Uiso 1 1 calc R . .
C12 C 0.4582(2) 0.6177(2) -0.23936(16) 0.0526(9) Uani 1 1 d . . .
H12A H 0.4569 0.5612 -0.2535 0.079 Uiso 1 1 calc R . .
H12B H 0.4637 0.6538 -0.2745 0.079 Uiso 1 1 calc R . .
H12C H 0.3969 0.6298 -0.2234 0.079 Uiso 1 1 calc R . .
C13 C 0.65387(17) 0.25117(15) -0.18786(11) 0.0224(6) Uani 1 1 d . . .
C14 C 0.67860(18) 0.17312(16) -0.16653(12) 0.0270(6) Uani 1 1 d . . .
C15 C 0.6540(2) 0.10984(17) -0.20892(13) 0.0341(7) Uani 1 1 d . . .
H15 H 0.6688 0.0556 -0.1958 0.041 Uiso 1 1 calc R . .
C16 C 0.6090(2) 0.12429(18) -0.26918(14) 0.0369(7) Uani 1 1 d . . .
H16 H 0.5919 0.0801 -0.2970 0.044 Uiso 1 1 calc R . .
C17 C 0.58847(19) 0.20242(18) -0.28969(13) 0.0333(7) Uani 1 1 d . . .
H17 H 0.5581 0.2115 -0.3317 0.040 Uiso 1 1 calc R . .
C18 C 0.61165(17) 0.26854(16) -0.24959(12) 0.0265(6) Uani 1 1 d . . .
C19 C 0.7333(2) 0.15719(17) -0.10138(13) 0.0358(7) Uani 1 1 d . . .
H19 H 0.7358 0.2092 -0.0775 0.043 Uiso 1 1 calc R . .
C20 C 0.6822(3) 0.0958(3) -0.06777(18) 0.0799(13) Uani 1 1 d . . .
H20A H 0.7202 0.0875 -0.0258 0.120 Uiso 1 1 calc R . .
H20B H 0.6774 0.0445 -0.0908 0.120 Uiso 1 1 calc R . .
H20C H 0.6155 0.1151 -0.0646 0.120 Uiso 1 1 calc R . .
C21 C 0.8394(3) 0.1309(3) -0.10285(18) 0.0789(13) Uani 1 1 d . . .
H21A H 0.8722 0.1715 -0.1252 0.118 Uiso 1 1 calc R . .
H21B H 0.8390 0.0785 -0.1242 0.118 Uiso 1 1 calc R . .
H21C H 0.8752 0.1256 -0.0600 0.118 Uiso 1 1 calc R . .
C22 C 0.5993(2) 0.35545(17) -0.27165(13) 0.0330(7) Uani 1 1 d . . .
H22 H 0.5741 0.3876 -0.2386 0.040 Uiso 1 1 calc R . .
C23 C 0.5261(2) 0.3661(2) -0.33283(14) 0.0474(8) Uani 1 1 d . . .
H23A H 0.5219 0.4236 -0.3443 0.071 Uiso 1 1 calc R . .
H23B H 0.4605 0.3466 -0.3272 0.071 Uiso 1 1 calc R . .
H23C H 0.5491 0.3348 -0.3660 0.071 Uiso 1 1 calc R . .
C24 C 0.7010(2) 0.39013(19) -0.27934(15) 0.0441(8) Uani 1 1 d . . .
H24A H 0.6931 0.4464 -0.2937 0.066 Uiso 1 1 calc R . .
H24B H 0.7288 0.3578 -0.3101 0.066 Uiso 1 1 calc R . .
H24C H 0.7458 0.3882 -0.2391 0.066 Uiso 1 1 calc R . .
C25 C 0.83939(19) 0.61195(16) 0.11070(12) 0.0271(6) Uani 1 1 d . . .
H25 H 0.7728 0.6283 0.1107 0.032 Uiso 1 1 calc R . .
C26 C 0.9150(2) 0.66811(17) 0.13084(13) 0.0332(6) Uani 1 1 d . . .
H26 H 0.8998 0.7203 0.1451 0.040 Uiso 1 1 calc R . .
C27 C 1.0107(2) 0.64611(17) 0.12957(13) 0.0338(7) Uani 1 1 d . . .
H27 H 1.0633 0.6828 0.1434 0.041 Uiso 1 1 calc R . .
C28 C 1.03106(18) 0.56902(16) 0.10770(12) 0.0269(6) Uani 1 1 d . . .
C29 C 0.95063(16) 0.51599(15) 0.08987(11) 0.0207(5) Uani 1 1 d . . .
C30 C 1.12964(18) 0.54431(19) 0.10139(13) 0.0334(7) Uani 1 1 d . . .
H30 H 1.1834 0.5806 0.1134 0.040 Uiso 1 1 calc R . .
C31 C 1.14701(18) 0.47113(19) 0.07893(12) 0.0325(7) Uani 1 1 d . . .
H31 H 1.2126 0.4567 0.0742 0.039 Uiso 1 1 calc R . .
C32 C 1.06798(17) 0.41422(16) 0.06197(11) 0.0258(6) Uani 1 1 d . . .
C33 C 0.96990(16) 0.43555(15) 0.06796(11) 0.0211(5) Uani 1 1 d . . .
C34 C 1.08367(18) 0.33667(17) 0.03943(12) 0.0307(6) Uani 1 1 d . . .
H34 H 1.1485 0.3201 0.0346 0.037 Uiso 1 1 calc R . .
C35 C 1.00550(19) 0.28509(17) 0.02437(12) 0.0313(6) Uani 1 1 d . . .
H35 H 1.0150 0.2324 0.0087 0.038 Uiso 1 1 calc R . .
C36 C 0.91108(18) 0.31110(16) 0.03233(12) 0.0267(6) Uani 1 1 d . . .
H36 H 0.8572 0.2746 0.0216 0.032 Uiso 1 1 calc R . .
C37 C 0.84121(18) 0.43876(15) 0.22499(12) 0.0257(6) Uani 1 1 d . . .
H37 H 0.8371 0.4940 0.2126 0.031 Uiso 1 1 calc R . .
C38 C 0.89595(18) 0.42028(16) 0.28373(12) 0.0280(6) Uani 1 1 d . . .
H38 H 0.9276 0.4619 0.3100 0.034 Uiso 1 1 calc R . .
C39 C 0.90289(17) 0.34108(16) 0.30255(12) 0.0283(6) Uani 1 1 d . . .
H39 H 0.9410 0.3267 0.3417 0.034 Uiso 1 1 calc R . .
C40 C 0.85311(17) 0.28133(16) 0.26338(12) 0.0246(6) Uani 1 1 d . . .
C41 C 0.80038(16) 0.30621(15) 0.20461(11) 0.0211(5) Uani 1 1 d . . .
C42 C 0.85521(19) 0.19780(16) 0.28040(13) 0.0310(6) Uani 1 1 d . . .
H42 H 0.8921 0.1816 0.3195 0.037 Uiso 1 1 calc R . .
C43 C 0.80629(19) 0.14159(17) 0.24246(13) 0.0334(7) Uani 1 1 d . . .
H43 H 0.8080 0.0865 0.2554 0.040 Uiso 1 1 calc R . .
C44 C 0.75157(17) 0.16358(15) 0.18272(13) 0.0272(6) Uani 1 1 d . . .
C45 C 0.74902(16) 0.24531(15) 0.16344(11) 0.0212(5) Uani 1 1 d . . .
C46 C 0.69990(19) 0.10725(16) 0.14174(14) 0.0336(7) Uani 1 1 d . . .
H46 H 0.7019 0.0514 0.1524 0.040 Uiso 1 1 calc R . .
C47 C 0.64664(19) 0.13230(17) 0.08649(14) 0.0337(7) Uani 1 1 d . . .
H47 H 0.6092 0.0945 0.0591 0.040 Uiso 1 1 calc R . .
C48 C 0.64769(18) 0.21447(16) 0.07056(13) 0.0296(6) Uani 1 1 d . . .
H48 H 0.6108 0.2315 0.0317 0.036 Uiso 1 1 calc R . .
O9 O 0.62703(12) 0.52831(10) 0.13356(8) 0.0268(4) Uani 1 1 d . . .
H9D H 0.6179 0.5725 0.1052 0.080 Uiso 1 1 d . . .
H9E H 0.5620 0.5202 0.1353 0.080 Uiso 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'
P P 0.1023 0.0942 '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
O5 Sr1 O1 82.71(5) . . ?
O5 Sr1 O2 78.48(5) . . ?
O1 Sr1 O2 81.71(5) . . ?
O5 Sr1 O9 151.05(5) . . ?
O1 Sr1 O9 76.25(5) . . ?
O2 Sr1 O9 78.99(5) . . ?
O5 Sr1 N4 79.43(6) . . ?
O1 Sr1 N4 74.66(5) . . ?
O2 Sr1 N4 149.37(5) . . ?
O9 Sr1 N4 113.08(6) . . ?
O5 Sr1 N2 72.22(5) . . ?
O1 Sr1 N2 149.10(6) . . ?
O2 Sr1 N2 109.76(5) . . ?
O9 Sr1 N2 133.19(6) . . ?
N4 Sr1 N2 83.06(6) . . ?
O5 Sr1 N3 129.82(5) . . ?
O1 Sr1 N3 110.23(5) . . ?
O2 Sr1 N3 149.34(5) . . ?
O9 Sr1 N3 76.88(5) . . ?
N4 Sr1 N3 59.77(6) . . ?
N2 Sr1 N3 74.88(6) . . ?
O5 Sr1 N1 116.04(5) . . ?
O1 Sr1 N1 151.01(6) . . ?
O2 Sr1 N1 80.91(5) . . ?
O9 Sr1 N1 77.77(5) . . ?
N4 Sr1 N1 128.23(6) . . ?
N2 Sr1 N1 59.57(6) . . ?
N3 Sr1 N1 75.75(6) . . ?
O5 Sr1 P2 17.47(4) . . ?
O1 Sr1 P2 69.81(4) . . ?
O2 Sr1 P2 65.82(4) . . ?
O9 Sr1 P2 133.59(4) . . ?
N4 Sr1 P2 87.60(4) . . ?
N2 Sr1 P2 88.40(4) . . ?
N3 Sr1 P2 144.43(4) . . ?
N1 Sr1 P2 122.37(4) . . ?
O5 Sr1 H9D 137.25(4) . . ?
O1 Sr1 H9D 79.34(4) . . ?
O2 Sr1 H9D 60.79(3) . . ?
O9 Sr1 H9D 18.76(4) . . ?
N4 Sr1 H9D 130.94(4) . . ?
N2 Sr1 H9D 131.49(4) . . ?
N3 Sr1 H9D 92.85(4) . . ?
N1 Sr1 H9D 71.95(4) . . ?
P2 Sr1 H9D 121.002(12) . . ?
O1 P1 O2 118.49(9) 3_665 . ?
O1 P1 O3 111.67(9) 3_665 . ?
O2 P1 O3 108.13(9) . . ?
O1 P1 O4 110.14(9) 3_665 . ?
O2 P1 O4 102.97(9) . . ?
O3 P1 O4 104.20(9) . . ?
O5 P2 O6 117.87(10) . . ?
O5 P2 O7 109.38(9) . . ?
O6 P2 O7 110.15(9) . . ?
O5 P2 O8 107.96(9) . . ?
O6 P2 O8 108.32(9) . . ?
O7 P2 O8 101.93(9) . . ?
O5 P2 Sr1 30.17(6) . . ?
O6 P2 Sr1 110.14(7) . . ?
O7 P2 Sr1 87.08(6) . . ?
O8 P2 Sr1 134.33(6) . . ?
P1 O1 Sr1 158.11(10) 3_665 . ?
P1 O2 Sr1 140.58(9) . . ?
P1 O3 H3A 115.17(13) . . ?
C1 O4 P1 123.49(13) . . ?
P2 O5 Sr1 132.36(9) . . ?
P2 O7 H7A 105.84(14) . . ?
C13 O8 P2 125.64(14) . . ?
C25 N1 C29 117.5(2) . . ?
C25 N1 Sr1 122.24(15) . . ?
C29 N1 Sr1 120.12(15) . . ?
C36 N2 C33 117.4(2) . . ?
C36 N2 Sr1 119.49(15) . . ?
C33 N2 Sr1 123.12(15) . . ?
C37 N3 C41 116.9(2) . . ?
C37 N3 Sr1 123.15(16) . . ?
C41 N3 Sr1 119.71(15) . . ?
C48 N4 C45 118.4(2) . . ?
C48 N4 Sr1 118.45(16) . . ?
C45 N4 Sr1 123.02(15) . . ?
C2 C1 C6 123.2(2) . . ?
C2 C1 O4 118.5(2) . . ?
C6 C1 O4 118.1(2) . . ?
C1 C2 C3 116.9(3) . . ?
C1 C2 C7 122.1(2) . . ?
C3 C2 C7 120.9(3) . . ?
C4 C3 C2 121.6(3) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C3 C4 C5 120.3(3) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C4 C5 C6 120.9(3) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 117.1(3) . . ?
C5 C6 C10 121.4(3) . . ?
C1 C6 C10 121.4(2) . . ?
C2 C7 C8 111.8(2) . . ?
C2 C7 C9 111.1(3) . . ?
C8 C7 C9 110.4(2) . . ?
C2 C7 H7 107.8 . . ?
C8 C7 H7 107.8 . . ?
C9 C7 H7 107.8 . . ?
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 . . ?
C6 C10 C11 109.7(2) . . ?
C6 C10 C12 114.7(2) . . ?
C11 C10 C12 110.3(2) . . ?
C6 C10 H10 107.2 . . ?
C11 C10 H10 107.2 . . ?
C12 C10 H10 107.2 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 123.2(2) . . ?
C14 C13 O8 119.4(2) . . ?
C18 C13 O8 117.2(2) . . ?
C13 C14 C15 117.0(2) . . ?
C13 C14 C19 121.9(2) . . ?
C15 C14 C19 121.0(2) . . ?
C16 C15 C14 121.3(3) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C15 C16 C17 120.4(3) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C18 121.0(3) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C13 C18 C17 116.8(2) . . ?
C13 C18 C22 120.3(2) . . ?
C17 C18 C22 122.7(2) . . ?
C20 C19 C14 112.3(3) . . ?
C20 C19 C21 110.1(3) . . ?
C14 C19 C21 110.8(3) . . ?
C20 C19 H19 107.8 . . ?
C14 C19 H19 107.8 . . ?
C21 C19 H19 107.8 . . ?
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 . . ?
C18 C22 C23 113.9(2) . . ?
C18 C22 C24 109.4(2) . . ?
C23 C22 C24 109.5(2) . . ?
C18 C22 H22 108.0 . . ?
C23 C22 H22 108.0 . . ?
C24 C22 H22 108.0 . . ?
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 . . ?
N1 C25 C26 124.0(2) . . ?
N1 C25 H25 118.0 . . ?
C26 C25 H25 118.0 . . ?
C27 C26 C25 118.6(3) . . ?
C27 C26 H26 120.7 . . ?
C25 C26 H26 120.7 . . ?
C26 C27 C28 119.6(2) . . ?
C26 C27 H27 120.2 . . ?
C28 C27 H27 120.2 . . ?
C27 C28 C29 117.8(2) . . ?
C27 C28 C30 122.2(2) . . ?
C29 C28 C30 120.0(2) . . ?
N1 C29 C28 122.5(2) . . ?
N1 C29 C33 118.7(2) . . ?
C28 C29 C33 118.8(2) . . ?
C31 C30 C28 121.2(2) . . ?
C31 C30 H30 119.4 . . ?
C28 C30 H30 119.4 . . ?
C30 C31 C32 120.8(2) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 H31 119.6 . . ?
C34 C32 C33 117.6(2) . . ?
C34 C32 C31 122.4(2) . . ?
C33 C32 C31 120.0(2) . . ?
N2 C33 C32 122.6(2) . . ?
N2 C33 C29 118.3(2) . . ?
C32 C33 C29 119.1(2) . . ?
C35 C34 C32 119.6(2) . . ?
C35 C34 H34 120.2 . . ?
C32 C34 H34 120.2 . . ?
C34 C35 C36 118.8(3) . . ?
C34 C35 H35 120.6 . . ?
C36 C35 H35 120.6 . . ?
N2 C36 C35 123.9(2) . . ?
N2 C36 H36 118.1 . . ?
C35 C36 H36 118.1 . . ?
N3 C37 C38 124.6(2) . . ?
N3 C37 H37 117.7 . . ?
C38 C37 H37 117.7 . . ?
C39 C38 C37 118.7(2) . . ?
C39 C38 H38 120.7 . . ?
C37 C38 H38 120.7 . . ?
C38 C39 C40 119.2(2) . . ?
C38 C39 H39 120.4 . . ?
C40 C39 H39 120.4 . . ?
C39 C40 C41 117.7(2) . . ?
C39 C40 C42 122.4(2) . . ?
C41 C40 C42 119.9(2) . . ?
N3 C41 C40 122.8(2) . . ?
N3 C41 C45 118.7(2) . . ?
C40 C41 C45 118.5(2) . . ?
C43 C42 C40 121.5(2) . . ?
C43 C42 H42 119.3 . . ?
C40 C42 H42 119.3 . . ?
C42 C43 C44 120.8(3) . . ?
C42 C43 H43 119.6 . . ?
C44 C43 H43 119.6 . . ?
C46 C44 C45 117.6(2) . . ?
C46 C44 C43 122.8(2) . . ?
C45 C44 C43 119.6(2) . . ?
N4 C45 C44 122.1(2) . . ?
N4 C45 C41 118.2(2) . . ?
C44 C45 C41 119.7(2) . . ?
C47 C46 C44 120.0(3) . . ?
C47 C46 H46 120.0 . . ?
C44 C46 H46 120.0 . . ?
C46 C47 C48 119.1(3) . . ?
C46 C47 H47 120.5 . . ?
C48 C47 H47 120.5 . . ?
N4 C48 C47 122.7(2) . . ?
N4 C48 H48 118.6 . . ?
C47 C48 H48 118.6 . . ?
Sr1 O9 H9D 99.13(11) . . ?
Sr1 O9 H9E 114.33(12) . . ?
H9D O9 H9E 96.74(15) . . ?
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 O5 2.4746(16) . ?
Sr1 O1 2.4955(15) . ?
Sr1 O2 2.5775(15) . ?
Sr1 O9 2.6074(16) . ?
Sr1 N4 2.709(2) . ?
Sr1 N2 2.7284(19) . ?
Sr1 N3 2.792(2) . ?
Sr1 N1 2.7994(19) . ?
Sr1 P2 3.6384(7) . ?
Sr1 H9D 2.9128(2) . ?
P1 O1 1.4799(16) 3_665 ?
P1 O2 1.4999(16) . ?
P1 O3 1.5706(17) . ?
P1 O4 1.6211(16) . ?
P2 O5 1.4781(17) . ?
P2 O6 1.5050(16) . ?
P2 O7 1.5737(17) . ?
P2 O8 1.6083(16) . ?
O1 P1 1.4799(16) 3_665 ?
O3 H3A 1.0022(15) . ?
O4 C1 1.404(3) . ?
O7 H7A 0.9073(16) . ?
O8 C13 1.401(3) . ?
N1 C25 1.321(3) . ?
N1 C29 1.362(3) . ?
N2 C36 1.325(3) . ?
N2 C33 1.358(3) . ?
N3 C37 1.318(3) . ?
N3 C41 1.359(3) . ?
N4 C48 1.325(3) . ?
N4 C45 1.358(3) . ?
C1 C2 1.391(4) . ?
C1 C6 1.394(4) . ?
C2 C3 1.391(4) . ?
C2 C7 1.516(4) . ?
C3 C4 1.365(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(4) . ?
C5 H5 0.9500 . ?
C6 C10 1.510(4) . ?
C7 C8 1.529(4) . ?
C7 C9 1.536(4) . ?
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 . ?
C10 C11 1.521(4) . ?
C10 C12 1.523(4) . ?
C10 H10 1.0000 . ?
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 C14 1.391(4) . ?
C13 C18 1.398(4) . ?
C14 C15 1.395(4) . ?
C14 C19 1.509(4) . ?
C15 C16 1.371(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.377(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.399(4) . ?
C17 H17 0.9500 . ?
C18 C22 1.512(4) . ?
C19 C20 1.489(4) . ?
C19 C21 1.520(4) . ?
C19 H19 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 . ?
C22 C23 1.534(4) . ?
C22 C24 1.539(4) . ?
C22 H22 1.0000 . ?
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 C26 1.402(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.363(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.402(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.408(3) . ?
C28 C30 1.437(4) . ?
C29 C33 1.449(3) . ?
C30 C31 1.338(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.433(4) . ?
C31 H31 0.9500 . ?
C32 C34 1.399(4) . ?
C32 C33 1.414(3) . ?
C34 C35 1.363(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.399(3) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.400(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.367(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.402(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.418(3) . ?
C40 C42 1.426(4) . ?
C41 C45 1.446(3) . ?
C42 C43 1.342(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.432(4) . ?
C43 H43 0.9500 . ?
C44 C46 1.395(4) . ?
C44 C45 1.410(3) . ?
C46 C47 1.360(4) . ?
C46 H46 0.9500 . ?
C47 C48 1.400(4) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
O9 H9D 0.9490(17) . ?
O9 H9E 0.9066(16) . ?
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
O1 Sr1 P2 O5 -135.94(13) . . . . ?
O2 Sr1 P2 O5 134.24(13) . . . . ?
O9 Sr1 P2 O5 178.47(13) . . . . ?
N4 Sr1 P2 O5 -61.41(13) . . . . ?
N2 Sr1 P2 O5 21.71(13) . . . . ?
N3 Sr1 P2 O5 -39.10(15) . . . . ?
N1 Sr1 P2 O5 73.56(13) . . . . ?
O5 Sr1 P2 O6 111.09(15) . . . . ?
O1 Sr1 P2 O6 -24.85(8) . . . . ?
O2 Sr1 P2 O6 -114.66(8) . . . . ?
O9 Sr1 P2 O6 -70.43(9) . . . . ?
N4 Sr1 P2 O6 49.68(8) . . . . ?
N2 Sr1 P2 O6 132.80(8) . . . . ?
N3 Sr1 P2 O6 71.99(10) . . . . ?
N1 Sr1 P2 O6 -175.34(9) . . . . ?
O5 Sr1 P2 O7 -138.49(14) . . . . ?
O1 Sr1 P2 O7 85.56(7) . . . . ?
O2 Sr1 P2 O7 -4.25(7) . . . . ?
O9 Sr1 P2 O7 39.98(8) . . . . ?
N4 Sr1 P2 O7 160.10(7) . . . . ?
N2 Sr1 P2 O7 -116.79(8) . . . . ?
N3 Sr1 P2 O7 -177.59(9) . . . . ?
N1 Sr1 P2 O7 -64.93(8) . . . . ?
O5 Sr1 P2 O8 -34.64(15) . . . . ?
O1 Sr1 P2 O8 -170.58(10) . . . . ?
O2 Sr1 P2 O8 99.61(10) . . . . ?
O9 Sr1 P2 O8 143.84(10) . . . . ?
N4 Sr1 P2 O8 -96.05(10) . . . . ?
N2 Sr1 P2 O8 -12.93(10) . . . . ?
N3 Sr1 P2 O8 -73.74(12) . . . . ?
N1 Sr1 P2 O8 38.93(11) . . . . ?
O5 Sr1 O1 P1 -73.2(3) . . . 3_665 ?
O2 Sr1 O1 P1 6.2(3) . . . 3_665 ?
O9 Sr1 O1 P1 86.8(3) . . . 3_665 ?
N4 Sr1 O1 P1 -154.1(3) . . . 3_665 ?
N2 Sr1 O1 P1 -108.8(3) . . . 3_665 ?
N3 Sr1 O1 P1 157.0(3) . . . 3_665 ?
N1 Sr1 O1 P1 59.9(3) . . . 3_665 ?
P2 Sr1 O1 P1 -61.0(3) . . . 3_665 ?
O1 P1 O2 Sr1 -103.68(14) 3_665 . . . ?
O3 P1 O2 Sr1 24.61(16) . . . . ?
O4 P1 O2 Sr1 134.51(13) . . . . ?
O5 Sr1 O2 P1 162.08(14) . . . . ?
O1 Sr1 O2 P1 77.88(14) . . . . ?
O9 Sr1 O2 P1 0.38(13) . . . . ?
N4 Sr1 O2 P1 117.46(15) . . . . ?
N2 Sr1 O2 P1 -131.77(13) . . . . ?
N3 Sr1 O2 P1 -38.20(19) . . . . ?
N1 Sr1 O2 P1 -78.82(14) . . . . ?
P2 Sr1 O2 P1 149.40(15) . . . . ?
O1 P1 O4 C1 27.9(2) 3_665 . . . ?
O2 P1 O4 C1 155.18(18) . . . . ?
O3 P1 O4 C1 -92.01(19) . . . . ?
O6 P2 O5 Sr1 -82.26(14) . . . . ?
O7 P2 O5 Sr1 44.55(14) . . . . ?
O8 P2 O5 Sr1 154.70(11) . . . . ?
O1 Sr1 O5 P2 41.15(12) . . . . ?
O2 Sr1 O5 P2 -41.83(12) . . . . ?
O9 Sr1 O5 P2 -2.3(2) . . . . ?
N4 Sr1 O5 P2 116.82(13) . . . . ?
N2 Sr1 O5 P2 -157.15(14) . . . . ?
N3 Sr1 O5 P2 151.47(11) . . . . ?
N1 Sr1 O5 P2 -115.63(12) . . . . ?
O5 P2 O8 C13 124.80(19) . . . . ?
O6 P2 O8 C13 -3.9(2) . . . . ?
O7 P2 O8 C13 -120.04(19) . . . . ?
Sr1 P2 O8 C13 142.28(16) . . . . ?
O5 Sr1 N1 C25 133.84(18) . . . . ?
O1 Sr1 N1 C25 7.6(3) . . . . ?
O2 Sr1 N1 C25 61.50(18) . . . . ?
O9 Sr1 N1 C25 -19.11(18) . . . . ?
N4 Sr1 N1 C25 -128.98(18) . . . . ?
N2 Sr1 N1 C25 -179.1(2) . . . . ?
N3 Sr1 N1 C25 -98.47(19) . . . . ?
P2 Sr1 N1 C25 115.15(18) . . . . ?
O5 Sr1 N1 C29 -51.13(18) . . . . ?
O1 Sr1 N1 C29 -177.33(14) . . . . ?
O2 Sr1 N1 C29 -123.48(17) . . . . ?
O9 Sr1 N1 C29 155.91(17) . . . . ?
N4 Sr1 N1 C29 46.04(19) . . . . ?
N2 Sr1 N1 C29 -4.07(15) . . . . ?
N3 Sr1 N1 C29 76.55(17) . . . . ?
P2 Sr1 N1 C29 -69.82(17) . . . . ?
O5 Sr1 N2 C36 -39.85(18) . . . . ?
O1 Sr1 N2 C36 -2.5(2) . . . . ?
O2 Sr1 N2 C36 -110.09(18) . . . . ?
O9 Sr1 N2 C36 156.53(16) . . . . ?
N4 Sr1 N2 C36 41.23(18) . . . . ?
N3 Sr1 N2 C36 101.72(19) . . . . ?
N1 Sr1 N2 C36 -176.2(2) . . . . ?
P2 Sr1 N2 C36 -46.55(18) . . . . ?
O5 Sr1 N2 C33 138.26(19) . . . . ?
O1 Sr1 N2 C33 175.59(15) . . . . ?
O2 Sr1 N2 C33 68.02(18) . . . . ?
O9 Sr1 N2 C33 -25.4(2) . . . . ?
N4 Sr1 N2 C33 -140.66(18) . . . . ?
N3 Sr1 N2 C33 -80.17(18) . . . . ?
N1 Sr1 N2 C33 1.95(16) . . . . ?
P2 Sr1 N2 C33 131.57(18) . . . . ?
O5 Sr1 N3 C37 140.51(17) . . . . ?
O1 Sr1 N3 C37 -121.94(18) . . . . ?
O2 Sr1 N3 C37 -13.2(2) . . . . ?
O9 Sr1 N3 C37 -52.19(18) . . . . ?
N4 Sr1 N3 C37 -179.2(2) . . . . ?
N2 Sr1 N3 C37 90.10(18) . . . . ?
N1 Sr1 N3 C37 28.31(17) . . . . ?
P2 Sr1 N3 C37 154.78(15) . . . . ?
O5 Sr1 N3 C41 -34.10(18) . . . . ?
O1 Sr1 N3 C41 63.45(17) . . . . ?
O2 Sr1 N3 C41 172.14(13) . . . . ?
O9 Sr1 N3 C41 133.20(17) . . . . ?
N4 Sr1 N3 C41 6.21(15) . . . . ?
N2 Sr1 N3 C41 -84.52(16) . . . . ?
N1 Sr1 N3 C41 -146.31(17) . . . . ?
P2 Sr1 N3 C41 -19.8(2) . . . . ?
O5 Sr1 N4 C48 -33.18(17) . . . . ?
O1 Sr1 N4 C48 52.08(17) . . . . ?
O2 Sr1 N4 C48 11.3(2) . . . . ?
O9 Sr1 N4 C48 119.45(17) . . . . ?
N2 Sr1 N4 C48 -106.31(18) . . . . ?
N3 Sr1 N4 C48 177.2(2) . . . . ?
N1 Sr1 N4 C48 -148.11(16) . . . . ?
P2 Sr1 N4 C48 -17.63(17) . . . . ?
O5 Sr1 N4 C45 143.43(18) . . . . ?
O1 Sr1 N4 C45 -131.30(18) . . . . ?
O2 Sr1 N4 C45 -172.13(14) . . . . ?
O9 Sr1 N4 C45 -63.93(18) . . . . ?
N2 Sr1 N4 C45 70.30(17) . . . . ?
N3 Sr1 N4 C45 -6.21(16) . . . . ?
N1 Sr1 N4 C45 28.5(2) . . . . ?
P2 Sr1 N4 C45 158.99(17) . . . . ?
P1 O4 C1 C2 99.2(2) . . . . ?
P1 O4 C1 C6 -86.3(2) . . . . ?
C6 C1 C2 C3 1.1(4) . . . . ?
O4 C1 C2 C3 175.3(2) . . . . ?
C6 C1 C2 C7 -176.8(2) . . . . ?
O4 C1 C2 C7 -2.6(3) . . . . ?
C1 C2 C3 C4 0.0(4) . . . . ?
C7 C2 C3 C4 177.9(3) . . . . ?
C2 C3 C4 C5 -0.3(5) . . . . ?
C3 C4 C5 C6 -0.5(4) . . . . ?
C4 C5 C6 C1 1.5(4) . . . . ?
C4 C5 C6 C10 -174.0(2) . . . . ?
C2 C1 C6 C5 -1.8(4) . . . . ?
O4 C1 C6 C5 -176.0(2) . . . . ?
C2 C1 C6 C10 173.6(2) . . . . ?
O4 C1 C6 C10 -0.6(3) . . . . ?
C1 C2 C7 C8 -120.9(3) . . . . ?
C3 C2 C7 C8 61.2(3) . . . . ?
C1 C2 C7 C9 115.3(3) . . . . ?
C3 C2 C7 C9 -62.6(3) . . . . ?
C5 C6 C10 C11 95.0(3) . . . . ?
C1 C6 C10 C11 -80.2(3) . . . . ?
C5 C6 C10 C12 -29.8(4) . . . . ?
C1 C6 C10 C12 154.9(2) . . . . ?
P2 O8 C13 C14 -76.3(3) . . . . ?
P2 O8 C13 C18 108.7(2) . . . . ?
C18 C13 C14 C15 -3.8(4) . . . . ?
O8 C13 C14 C15 -178.4(2) . . . . ?
C18 C13 C14 C19 173.8(2) . . . . ?
O8 C13 C14 C19 -0.8(3) . . . . ?
C13 C14 C15 C16 1.1(4) . . . . ?
C19 C14 C15 C16 -176.5(2) . . . . ?
C14 C15 C16 C17 1.2(4) . . . . ?
C15 C16 C17 C18 -0.9(4) . . . . ?
C14 C13 C18 C17 4.0(3) . . . . ?
O8 C13 C18 C17 178.8(2) . . . . ?
C14 C13 C18 C22 -171.8(2) . . . . ?
O8 C13 C18 C22 3.0(3) . . . . ?
C16 C17 C18 C13 -1.6(4) . . . . ?
C16 C17 C18 C22 174.1(2) . . . . ?
C13 C14 C19 C20 128.1(3) . . . . ?
C15 C14 C19 C20 -54.5(4) . . . . ?
C13 C14 C19 C21 -108.3(3) . . . . ?
C15 C14 C19 C21 69.1(4) . . . . ?
C13 C18 C22 C23 -163.0(2) . . . . ?
C17 C18 C22 C23 21.4(3) . . . . ?
C13 C18 C22 C24 74.1(3) . . . . ?
C17 C18 C22 C24 -101.4(3) . . . . ?
C29 N1 C25 C26 -2.1(4) . . . . ?
Sr1 N1 C25 C26 173.1(2) . . . . ?
N1 C25 C26 C27 1.6(4) . . . . ?
C25 C26 C27 C28 0.7(4) . . . . ?
C26 C27 C28 C29 -2.3(4) . . . . ?
C26 C27 C28 C30 175.8(3) . . . . ?
C25 N1 C29 C28 0.4(3) . . . . ?
Sr1 N1 C29 C28 -174.87(17) . . . . ?
C25 N1 C29 C33 -178.7(2) . . . . ?
Sr1 N1 C29 C33 6.0(3) . . . . ?
C27 C28 C29 N1 1.7(4) . . . . ?
C30 C28 C29 N1 -176.4(2) . . . . ?
C27 C28 C29 C33 -179.1(2) . . . . ?
C30 C28 C29 C33 2.7(3) . . . . ?
C27 C28 C30 C31 -178.3(3) . . . . ?
C29 C28 C30 C31 -0.2(4) . . . . ?
C28 C30 C31 C32 -1.7(4) . . . . ?
C30 C31 C32 C34 -178.8(3) . . . . ?
C30 C31 C32 C33 1.0(4) . . . . ?
C36 N2 C33 C32 -1.7(3) . . . . ?
Sr1 N2 C33 C32 -179.83(17) . . . . ?
C36 N2 C33 C29 178.2(2) . . . . ?
Sr1 N2 C33 C29 0.1(3) . . . . ?
C34 C32 C33 N2 1.2(4) . . . . ?
C31 C32 C33 N2 -178.6(2) . . . . ?
C34 C32 C33 C29 -178.7(2) . . . . ?
C31 C32 C33 C29 1.5(3) . . . . ?
N1 C29 C33 N2 -4.1(3) . . . . ?
C28 C29 C33 N2 176.8(2) . . . . ?
N1 C29 C33 C32 175.8(2) . . . . ?
C28 C29 C33 C32 -3.3(3) . . . . ?
C33 C32 C34 C35 -0.1(4) . . . . ?
C31 C32 C34 C35 179.7(2) . . . . ?
C32 C34 C35 C36 -0.4(4) . . . . ?
C33 N2 C36 C35 1.1(4) . . . . ?
Sr1 N2 C36 C35 179.31(19) . . . . ?
C34 C35 C36 N2 -0.1(4) . . . . ?
C41 N3 C37 C38 0.9(3) . . . . ?
Sr1 N3 C37 C38 -173.86(18) . . . . ?
N3 C37 C38 C39 0.1(4) . . . . ?
C37 C38 C39 C40 -1.6(4) . . . . ?
C38 C39 C40 C41 2.2(3) . . . . ?
C38 C39 C40 C42 -178.7(2) . . . . ?
C37 N3 C41 C40 -0.3(3) . . . . ?
Sr1 N3 C41 C40 174.68(16) . . . . ?
C37 N3 C41 C45 178.8(2) . . . . ?
Sr1 N3 C41 C45 -6.3(3) . . . . ?
C39 C40 C41 N3 -1.3(3) . . . . ?
C42 C40 C41 N3 179.6(2) . . . . ?
C39 C40 C41 C45 179.7(2) . . . . ?
C42 C40 C41 C45 0.5(3) . . . . ?
C39 C40 C42 C43 179.4(2) . . . . ?
C41 C40 C42 C43 -1.5(4) . . . . ?
C40 C42 C43 C44 1.2(4) . . . . ?
C42 C43 C44 C46 179.8(3) . . . . ?
C42 C43 C44 C45 0.0(4) . . . . ?
C48 N4 C45 C44 1.4(3) . . . . ?
Sr1 N4 C45 C44 -175.20(17) . . . . ?
C48 N4 C45 C41 -177.4(2) . . . . ?
Sr1 N4 C45 C41 6.0(3) . . . . ?
C46 C44 C45 N4 0.4(4) . . . . ?
C43 C44 C45 N4 -179.8(2) . . . . ?
C46 C44 C45 C41 179.2(2) . . . . ?
C43 C44 C45 C41 -1.0(3) . . . . ?
N3 C41 C45 N4 0.4(3) . . . . ?
C40 C41 C45 N4 179.5(2) . . . . ?
N3 C41 C45 C44 -178.4(2) . . . . ?
C40 C41 C45 C44 0.7(3) . . . . ?
C45 C44 C46 C47 -2.3(4) . . . . ?
C43 C44 C46 C47 177.9(3) . . . . ?
C44 C46 C47 C48 2.4(4) . . . . ?
C45 N4 C48 C47 -1.4(4) . . . . ?
Sr1 N4 C48 C47 175.4(2) . . . . ?
C46 C47 C48 N4 -0.5(4) . . . . ?
