#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:42:15 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179258 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/78/4317836.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_4317836
loop_
_publ_author_name
'Geeta Hundal'
'Maninder Singh Hundal'
'Sangeeta Obrai'
'N. S. Poonia'
'Subodh Kumar'
_publ_section_title
;
 Metal Complexes of Tetrapodal Ligands: Synthesis, Spectroscopic and
 Thermal Studies, and X-ray Crystal Structure Studies of Na(I), Ca(II),
 Sr(II), and Ba(II) Complexes of Tetrapodal Ligands
 N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine and
 N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2077
_journal_page_last               2086
_journal_paper_doi               10.1021/ic0100727
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C52 H84 N12 O32 Sr2'
_chemical_formula_weight         1564.55
_chemical_name_systematic
;
  ?
;
_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
_cell_angle_alpha                110.54(3)
_cell_angle_beta                 111.01(3)
_cell_angle_gamma                98.87(3)
_cell_formula_units_Z            1
_cell_length_a                   12.087(2)
_cell_length_b                   12.354(3)
_cell_length_c                   14.338(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1773.0(10)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_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  0.0647
_diffrn_reflns_av_sigmaI/netI    0.0871
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4644
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    1.598
_exptl_crystal_colour            Reddish_yellow
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_F_000             812
_refine_diff_density_max         1.395
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.996
_refine_ls_goodness_of_fit_obs   1.049
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         4039
_refine_ls_number_restraints     41
_refine_ls_restrained_S_all      1.059
_refine_ls_restrained_S_obs      1.043
_refine_ls_R_factor_all          0.1262
_refine_ls_R_factor_obs          0.0823
_refine_ls_shift/esd_max         3.517
_refine_ls_shift/esd_mean        0.520
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1625P)²+3.9106P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2640
_refine_ls_wR_factor_obs         0.2161
_reflns_number_observed          3101
_reflns_number_total             4394
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic0100727_10.cif
_cod_data_source_block           srdnphpe
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1625P)^2^+3.9106P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1625P)^2^+3.9106P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1773.0(6)
_cod_database_code               4317836
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Sr Sr 0.03892(8) 0.40116(9) 0.36312(7) 0.0456(4) Uani 1 d . .
O2 O 0.1848(8) 0.2848(7) 0.4373(6) 0.086(3) Uani 1 d D .
H20 H 0.0888 0.2625 0.4258 0.128 Uiso 1 d . .
O4 O 0.2691(8) 0.5387(8) 0.4411(7) 0.091(3) Uani 1 d D .
H40 H 0.2015 0.5618 0.4352 0.136 Uiso 1 d . .
O5 O 0.2080(8) 0.3650(7) 0.6491(7) 0.077(2) Uani 1 d . .
O8 O 0.5549(18) 0.2157(19) 0.9847(16) 0.218(10) Uani 1 d . .
O9 O 0.6777(16) 0.3869(21) 1.0279(14) 0.190(8) Uani 1 d . .
O10 O 0.2864(7) 0.7563(7) 0.5984(7) 0.082(2) Uani 1 d . .
O12 O 0.6097(8) 0.7821(10) 0.8391(9) 0.114(4) Uani 1 d D .
O13 O 0.8034(9) 1.1624(9) 0.8679(9) 0.111(3) Uani 1 d . .
O14 O 0.6980(12) 1.2393(12) 0.7724(13) 0.158(6) Uani 1 d . .
N1 N 0.0294(6) 0.1784(6) 0.2057(6) 0.053(2) Uani 1 d D .
N2 N 0.1284(8) 0.4228(7) 0.2096(7) 0.059(2) Uani 1 d D .
N5 N 0.5127(8) 0.7648(9) 0.7653(8) 0.073(3) Uani 1 d D .
N6 N 0.7046(12) 1.1574(11) 0.7990(10) 0.093(4) Uani 1 d . .
N3 N 0.1568(14) 0.1495(12) 0.6789(13) 0.125(5) Uani 1 d D .
N4 N 0.5792(17) 0.3093(21) 0.9763(14) 0.132(6) Uani 1 d . .
C8 C 0.0646(14) 0.4888(13) 0.1568(11) 0.095(5) Uani 1 d D .
H8A H -0.0091(14) 0.4302(13) 0.0898(11) 0.114 Uiso 1 calc R 1
H8B H 0.1188(14) 0.5280(13) 0.1338(11) 0.114 Uiso 1 calc R 1
C10 C 0.2621(12) 0.4849(15) 0.2623(9) 0.111(5) Uani 1 d D .
H10A H 0.2792(12) 0.5221(15) 0.2175(9) 0.133 Uiso 1 calc R 1
H10B H 0.3037(12) 0.4235(15) 0.2596(9) 0.133 Uiso 1 calc R 1
C11 C -0.3295(9) 0.0482(12) 0.0925(11) 0.093(4) Uani 1 d D .
H11A H -0.3832(9) 0.0949(12) 0.1065(11) 0.139 Uiso 1 calc R 1
H11B H -0.3175(9) 0.0035(12) 0.1363(11) 0.139 Uiso 1 calc R 1
H11C H -0.3671(9) -0.0078(12) 0.0150(11) 0.139 Uiso 1 calc R 1
C12 C 0.2417(14) 0.1018(14) 0.4309(14) 0.118(6) Uani 1 d D .
H12A H 0.2754(14) 0.1452(14) 0.5104(14) 0.177 Uiso 1 calc R 1
H12B H 0.3080(14) 0.1099(14) 0.4094(14) 0.177 Uiso 1 calc R 1
H12C H 0.2019(14) 0.0171(14) 0.4075(14) 0.177 Uiso 1 calc R 1
C14 C 0.4619(9) 0.6181(16) 0.4365(13) 0.122(6) Uani 1 d D .
H14A H 0.4923(9) 0.6794(16) 0.5114(13) 0.183 Uiso 1 calc R 1
H14B H 0.4957(9) 0.6506(16) 0.3970(13) 0.183 Uiso 1 calc R 1
H14C H 0.4874(9) 0.5486(16) 0.4378(13) 0.183 Uiso 1 calc R 1
C15 C 0.2914(11) 0.3501(11) 0.7233(9) 0.063(3) Uani 1 d . .
C16 C 0.2761(12) 0.2466(11) 0.7442(11) 0.076(3) Uani 1 d . .
C17 C 0.3692(15) 0.2340(15) 0.8256(12) 0.096(4) Uani 1 d . .
H17A H 0.3542(15) 0.1644(15) 0.8367(12) 0.116 Uiso 1 calc R .
C18 C 0.4804(15) 0.3202(15) 0.8887(12) 0.087(4) Uani 1 d . .
C19 C 0.5069(13) 0.4266(15) 0.8724(11) 0.089(4) Uani 1 d . .
H19A H 0.5848(13) 0.4867(15) 0.9155(11) 0.106 Uiso 1 calc R .
C20 C 0.4130(12) 0.4368(12) 0.7907(11) 0.077(4) Uani 1 d . .
H20A H 0.4301(12) 0.5053(12) 0.7785(11) 0.092 Uiso 1 calc R .
C21 C 0.3840(9) 0.8489(10) 0.6460(10) 0.060(3) Uani 1 d . .
C22 C 0.4995(9) 0.8605(9) 0.7280(8) 0.049(3) Uani 1 d . .
C23 C 0.6045(10) 0.9613(9) 0.7777(9) 0.057(3) Uani 1 d . .
H23A H 0.6791(10) 0.9663(9) 0.8317(9) 0.068 Uiso 1 calc R .
C24 C 0.5975(11) 1.0527(11) 0.7468(10) 0.071(3) Uani 1 d . .
C25 C 0.4875(13) 1.0436(12) 0.6638(12) 0.096(4) Uani 1 d . .
H25A H 0.4845(13) 1.1057(12) 0.6415(12) 0.115 Uiso 1 calc R .
C26 C 0.3848(11) 0.9455(11) 0.6150(11) 0.084(4) Uani 1 d . .
H26A H 0.3123(11) 0.9413(11) 0.5592(11) 0.101 Uiso 1 calc R .
O1W O -0.0443(9) 0.2713(10) 0.4556(9) 0.108(3) Uani 1 d . .
H11W H -0.1578 0.2418 0.4327 0.162 Uiso 1 d . .
H12W H 0.0601 0.2411 0.4897 0.162 Uiso 1 d . .
O2W O 0.1458(6) 0.5359(6) 0.5858(5) 0.048(2) Uani 1 d . .
H21W H 0.1243 0.5378 0.6371 0.072 Uiso 1 d . .
H22W H 0.2088 0.5977 0.6233 0.072 Uiso 1 d . .
O1 O -0.1793(9) 0.2581(8) 0.1972(9) 0.065(3) Uiso 0.73 d PD 1
H10 H -0.1492 0.3049 0.1734 0.097 Uiso 0.73 d P 1
O3 O -0.0327(10) 0.5402(10) 0.2799(9) 0.071(3) Uiso 0.72 d PD 1
H30 H -0.0813 0.5824 0.2917 0.106 Uiso 0.72 d P 1
O6 O 0.0606(14) 0.1624(17) 0.6297(17) 0.109(6) Uiso 0.61 d PD 1
O7 O 0.1559(18) 0.0510(12) 0.6743(17) 0.121(6) Uiso 0.62 d PD 1
O11 O 0.4445(14) 0.6628(10) 0.7018(11) 0.082(4) Uiso 0.57 d PD 1
C1 C -0.2050(11) 0.1330(8) 0.1236(15) 0.065(5) Uiso 0.61 d PD 1
H1A H -0.2368(11) 0.1458(8) 0.0565(15) 0.078 Uiso 0.61 calc PR 1
C2 C -0.0936(7) 0.1087(20) 0.1108(14) 0.056(7) Uiso 0.35 d PD 1
H2A H -0.1046(7) 0.0228(20) 0.0906(14) 0.067 Uiso 0.35 calc PR 1
H2B H -0.0928(7) 0.1227(20) 0.0486(14) 0.067 Uiso 0.35 calc PR 1
C3 C 0.1471(14) 0.1542(8) 0.3769(11) 0.078(6) Uiso 0.59 d PD 1
H3A H 0.0790(14) 0.1280(8) 0.3940(11) 0.094 Uiso 0.59 calc PR 1
C4 C 0.0821(22) 0.1013(14) 0.2541(11) 0.069(7) Uiso 0.56 d PD 1
H4A H 0.1407(22) 0.0772(14) 0.2258(11) 0.083 Uiso 0.56 calc PR 1
H4B H 0.0148(22) 0.0276(14) 0.2275(11) 0.083 Uiso 0.56 calc PR 1
C5 C 0.1097(19) 0.1971(16) 0.1533(18) 0.060(6) Uiso 0.50 d PD 1
H5A H 0.0808(19) 0.1246(16) 0.0841(18) 0.072 Uiso 0.50 calc PR 1
H5B H 0.1938(19) 0.2046(16) 0.2015(18) 0.072 Uiso 0.50 calc PR 1
C6 C 0.1163(20) 0.3041(9) 0.1288(12) 0.082(6) Uiso 0.73 d PD 1
H6A H 0.1866(20) 0.3159(9) 0.1117(12) 0.099 Uiso 0.73 calc PR 1
H6B H 0.0415(20) 0.2816(9) 0.0611(12) 0.099 Uiso 0.73 calc PR 1
C7 C 0.0245(17) 0.5830(13) 0.2215(14) 0.079(6) Uiso 0.64 d PD 1
H7A H 0.1048(17) 0.6417(13) 0.2825(14) 0.095 Uiso 0.64 calc PR 1
C9 C 0.3208(10) 0.5800(13) 0.3787(9) 0.072(6) Uiso 0.59 d PD 1
H9A H 0.2978(10) 0.6525(13) 0.3779(9) 0.086 Uiso 0.59 calc PR 1
C13 C -0.0339(29) 0.6628(27) 0.1739(28) 0.082(9) Uiso 0.39 d PD 1
H13A H -0.0536(29) 0.7189(27) 0.2267(28) 0.122 Uiso 0.39 calc PR 1
H13B H -0.1091(29) 0.6127(27) 0.1064(28) 0.122 Uiso 0.39 calc PR 1
H13C H 0.0238(29) 0.7076(27) 0.1583(28) 0.122 Uiso 0.39 calc PR 1
O1' O -0.1720(24) 0.2439(16) 0.2545(21) 0.070(7) Uiso 0.27 d PD 2
H10' H -0.2062 0.2438 0.2983 0.105 Uiso 0.27 d P 2
O3' O -0.0983(26) 0.4416(26) 0.1943(22) 0.075(8) Uiso 0.28 d PD 2
H30' H -0.0814 0.3715 0.1836 0.113 Uiso 0.28 d P 2
O6' O 0.0926(25) 0.1404(27) 0.5894(15) 0.107(9) Uiso 0.39 d PD 2
O7' O 0.1388(37) 0.1078(38) 0.7377(29) 0.152(14) Uiso 0.38 d PD 2
O11' O 0.4188(13) 0.7009(17) 0.7531(18) 0.083(6) Uiso 0.43 d PD 2
C1' C -0.1977(9) 0.1181(17) 0.1824(14) 0.054(6) Uiso 0.39 d PD 2
H1'A H -0.1933(9) 0.0809(17) 0.2333(14) 0.064 Uiso 0.39 calc PR 2
C2' C -0.0955(9) 0.0908(12) 0.1545(17) 0.076(6) Uiso 0.65 d PD 2
H2'A H -0.0839(9) 0.0204(12) 0.1673(17) 0.091 Uiso 0.65 calc PR 2
H2'B H -0.1274(9) 0.0641(12) 0.0749(17) 0.091 Uiso 0.65 calc PR 2
C3' C 0.2047(27) 0.1786(16) 0.3709(11) 0.071(8) Uiso 0.41 d PD 2
H3'A H 0.2862(27) 0.2170(16) 0.3777(11) 0.085 Uiso 0.41 calc PR 2
C4' C 0.1288(21) 0.1304(23) 0.2494(13) 0.072(8) Uiso 0.44 d PD 2
H4'A H 0.1862(21) 0.1416(23) 0.2180(13) 0.087 Uiso 0.44 calc PR 2
H4'B H 0.0910(21) 0.0431(23) 0.2203(13) 0.087 Uiso 0.44 calc PR 2
C5' C 0.0371(27) 0.1942(20) 0.1116(14) 0.077(7) Uiso 0.50 d PD 2
H5'A H -0.0394(27) 0.1377(20) 0.0462(14) 0.092 Uiso 0.50 calc PR 2
H5'B H 0.1047(27) 0.1657(20) 0.1028(14) 0.092 Uiso 0.50 calc PR 2
C6' C 0.0553(43) 0.3122(12) 0.1051(12) 0.081(13) Uiso 0.27 d PD 2
H6'A H 0.0954(43) 0.3099(12) 0.0571(12) 0.098 Uiso 0.27 calc PR 2
H6'B H -0.0266(43) 0.3189(12) 0.0693(12) 0.098 Uiso 0.27 calc PR 2
C7' C -0.0691(15) 0.4796(24) 0.1193(27) 0.108(14) Uiso 0.36 d PD 2
H7'A H -0.1179(15) 0.4150(24) 0.0430(27) 0.130 Uiso 0.36 calc PR 2
C9' C 0.3411(9) 0.5140(14) 0.3796(8) 0.067(8) Uiso 0.41 d PD 2
H9'A H 0.3629(9) 0.4411(14) 0.3807(8) 0.080 Uiso 0.41 calc PR 2
C13' C -0.0851(22) 0.5992(19) 0.1223(19) 0.088(6) Uiso 0.61 d PD 2
H13D H -0.1716(22) 0.5936(19) 0.1000(19) 0.132 Uiso 0.61 calc PR 2
H13E H -0.0585(22) 0.6172(19) 0.0723(19) 0.132 Uiso 0.61 calc PR 2
H13F H -0.0354(22) 0.6630(19) 0.1965(19) 0.132 Uiso 0.61 calc PR 2
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
O1' Sr O2 103.3(6) . . ?
O3 Sr O2 158.4(3) . . y
O3 Sr O1 77.9(3) . . y
O2 Sr O1 114.0(3) . . y
O1' Sr O4 167.5(5) . . ?
O3 Sr O4 87.9(3) . . y
O2 Sr O4 73.2(3) . . y
O1 Sr O4 151.3(3) . . y
O1' Sr O3' 70.5(9) . . ?
O2 Sr O3' 149.1(6) . . ?
O4 Sr O3' 106.0(6) . . ?
O1' Sr O2W 123.7(6) . . ?
O3 Sr O2W 106.1(3) . . y
O2 Sr O2W 76.9(2) . . y
O1 Sr O2W 140.2(3) . . y
O4 Sr O2W 67.7(2) . . y
O3' Sr O2W 132.4(6) . . ?
O1' Sr O1W 60.0(7) . . ?
O3 Sr O1W 136.4(3) . . y
O2 Sr O1W 65.1(3) . . y
O1 Sr O1W 79.5(3) . . y
O4 Sr O1W 126.1(3) . . y
O3' Sr O1W 127.3(6) . . y
O2W Sr O1W 70.7(3) . . y
O1' Sr O2W 63.6(5) . 2_566 ?
O3 Sr O2W 70.8(3) . 2_566 ?
O2 Sr O2W 129.4(2) . 2_566 ?
O1 Sr O2W 70.6(2) . 2_566 ?
O4 Sr O2W 128.0(2) . 2_566 ?
O3' Sr O2W 76.3(6) . 2_566 ?
O2W Sr O2W 73.5(2) . 2_566 ?
O1W Sr O2W 66.7(3) . 2_566 ?
O1' Sr N1 66.0(5) . . ?
O3 Sr N1 113.3(3) . . y
O2 Sr N1 62.4(2) . . y
O1 Sr N1 62.3(2) . . y
O4 Sr N1 102.3(2) . . y
O3' Sr N1 88.5(6) . . ?
O2W Sr N1 139.1(2) . . y
O1W Sr N1 87.5(3) . . y
O2W Sr N1 129.6(2) 2_566 . ?
O1' Sr N2 107.9(7) . . ?
O3 Sr N2 64.1(3) . . y
O2 Sr N2 96.8(3) . . y
O1 Sr N2 89.9(3) . . y
O4 Sr N2 61.4(2) . . y
O3' Sr N2 59.1(6) . . ?
O2W Sr N2 128.2(2) . . y
O1W Sr N2 152.1(3) . . y
O2W Sr N2 133.7(2) 2_566 . ?
N1 Sr N2 64.8(2) . . y
O1' Sr Sr 93.8(5) . 2_566 ?
O3 Sr Sr 88.0(2) . 2_566 ?
O2 Sr Sr 104.9(2) . 2_566 ?
O1 Sr Sr 105.6(2) . 2_566 ?
O4 Sr Sr 98.7(2) . 2_566 ?
O3' Sr Sr 105.6(6) . 2_566 ?
O2W Sr Sr 36.99(13) . 2_566 ?
O1W Sr Sr 63.1(3) . 2_566 ?
O2W Sr Sr 36.56(13) 2_566 2_566 ?
N1 Sr Sr 150.32(15) . 2_566 ?
N2 Sr Sr 144.8(2) . 2_566 ?
C3' O2 Sr 126.4(8) . . ?
C3 O2 Sr 119.0(6) . . ?
C9' O4 Sr 122.0(6) . . ?
C9 O4 Sr 125.7(6) . . ?
C4' N1 C5' 107.6(16) . . ?
C4 N1 C5 100.3(12) . . ?
C4' N1 C2' 112.8(15) . . ?
C5' N1 C2' 102.7(14) . . ?
C4 N1 C2 111.1(15) . . ?
C5 N1 C2 103.1(14) . . ?
C4' N1 Sr 114.4(8) . . ?
C5' N1 Sr 109.9(10) . . ?
C4 N1 Sr 114.1(7) . . ?
C5 N1 Sr 112.4(8) . . ?
C2' N1 Sr 108.7(7) . . ?
C2 N1 Sr 114.4(7) . . ?
C8 N2 C6 112.0(10) . . ?
C8 N2 C6' 88.3(14) . . ?
C8 N2 C10 108.8(10) . . ?
C6 N2 C10 102.1(11) . . ?
C6' N2 C10 127.5(23) . . ?
C8 N2 Sr 109.1(6) . . ?
C6 N2 Sr 112.0(7) . . ?
C6' N2 Sr 106.9(16) . . ?
C10 N2 Sr 112.7(6) . . ?
O12 N5 O11' 119.2(14) . . ?
O12 N5 O11 120.0(13) . . ?
O12 N5 C22 118.2(9) . . ?
O11' N5 C22 116.3(13) . . ?
O11 N5 C22 117.9(11) . . ?
O14 N6 O13 120.5(12) . . ?
O14 N6 C24 119.4(13) . . ?
O13 N6 C24 120.1(13) . . ?
O6' N3 O7' 133.8(28) . . ?
O7 N3 O6 118.5(18) . . ?
O6' N3 C16 117.1(18) . . ?
O7' N3 C16 108.0(23) . . ?
O7 N3 C16 117.5(15) . . ?
O6 N3 C16 123.9(14) . . ?
O8 N4 O9 125.4(19) . . ?
O8 N4 C18 115.6(20) . . ?
O9 N4 C18 118.7(21) . . ?
N2 C8 C7 117.9(11) . . ?
N2 C8 C7' 127.5(13) . . ?
N2 C8 C6' 46.5(8) . . ?
C7' C8 C6' 101.8(18) . . ?
N2 C10 C9 118.2(10) . . ?
N2 C10 C9' 121.1(10) . . ?
O5 C15 C20 121.6(11) . . ?
O5 C15 C16 124.7(12) . . ?
C20 C15 C16 113.7(11) . . ?
C17 C16 C15 122.9(13) . . ?
C17 C16 N3 117.9(12) . . ?
C15 C16 N3 119.2(11) . . ?
C18 C17 C16 120.7(14) . . ?
C17 C18 C19 121.0(12) . . ?
C17 C18 N4 121.4(16) . . ?
C19 C18 N4 117.6(17) . . ?
C20 C19 C18 117.2(14) . . ?
C19 C20 C15 124.5(13) . . ?
O10 C21 C26 121.2(10) . . ?
O10 C21 C22 123.6(10) . . ?
C26 C21 C22 115.1(10) . . ?
C23 C22 C21 122.6(10) . . ?
C23 C22 N5 116.7(9) . . ?
C21 C22 N5 120.7(9) . . ?
C24 C23 C22 119.2(10) . . ?
C23 C24 C25 120.4(10) . . ?
C23 C24 N6 119.4(12) . . ?
C25 C24 N6 120.2(12) . . ?
C26 C25 C24 120.6(12) . . ?
C25 C26 C21 122.0(12) . . ?
Sr O2W Sr 106.5(2) . 2_566 ?
C1 O1 Sr 124.6(8) . . ?
C7 O3 Sr 122.9(8) . . ?
O1 C1 C2 112.7(10) . . ?
O1 C1 C11 114.5(10) . . ?
C2 C1 C11 131.6(12) . . ?
N1 C2 C1 118.2(12) . . ?
O2 C3 C4 117.1(12) . . ?
O2 C3 C12 112.1(9) . . ?
C4 C3 C12 119.2(11) . . ?
N1 C4 C3 117.1(11) . . ?
N1 C5 C6 116.5(12) . . ?
N2 C6 C5 121.4(13) . . ?
O3 C7 C8 111.7(10) . . ?
O3 C7 C13 115.4(16) . . ?
C8 C7 C13 120.4(17) . . ?
O4 C9 C10 109.0(9) . . ?
O4 C9 C14 110.1(9) . . ?
C10 C9 C14 114.8(10) . . ?
C1' O1' Sr 124.8(14) . . ?
C7' O3' Sr 132.6(17) . . ?
O1' C1' C2' 115.1(16) . . ?
O1' C1' C11 117.4(15) . . ?
C2' C1' C11 117.0(11) . . ?
N1 C2' C1' 124.0(11) . . ?
O2 C3' C4' 114.7(13) . . ?
O2 C3' C12 112.1(9) . . ?
C4' C3' C12 124.9(15) . . ?
N1 C4' C3' 120.3(14) . . ?
N1 C5' C6' 124.0(20) . . ?
N2 C6' C5' 117.3(18) . . ?
N2 C6' C8 45.2(8) . . ?
C5' C6' C8 153.8(25) . . ?
O3' C7' C8 101.7(18) . . ?
O3' C7' C13' 116.9(25) . . ?
C8 C7' C13' 109.8(16) . . ?
O4 C9' C10 109.1(9) . . ?
O4 C9' C14 110.1(9) . . ?
C10 C9' C14 114.8(11) . . ?
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
Sr O1' 2.49(2) . ?
Sr O3 2.505(11) . y
Sr O2 2.610(8) . y
Sr O1 2.618(10) . y
Sr O4 2.618(8) . y
Sr O3' 2.66(3) . ?
Sr O2W 2.699(6) . y
Sr O1W 2.702(9) . y
Sr O2W 2.726(6) 2_566 ?
Sr N1 2.835(7) . y
Sr N2 2.849(8) . y
Sr Sr 4.346(2) 2_566 ?
O2 C3' 1.439(2) . ?
O2 C3 1.439(2) . ?
O4 C9' 1.439(2) . ?
O4 C9 1.440(2) . ?
O5 C15 1.267(12) . ?
O8 N4 1.21(2) . ?
O9 N4 1.18(2) . ?
O10 C21 1.275(12) . ?
O12 N5 1.191(5) . ?
O13 N6 1.223(14) . ?
O14 N6 1.205(15) . ?
N1 C4' 1.459(2) . ?
N1 C5' 1.460(2) . ?
N1 C4 1.460(2) . ?
N1 C5 1.460(2) . ?
N1 C2' 1.461(2) . ?
N1 C2 1.461(3) . ?
N2 C8 1.429(14) . ?
N2 C6 1.461(2) . ?
N2 C6' 1.460(2) . ?
N2 C10 1.451(15) . ?
N5 O11' 1.194(5) . ?
N5 O11 1.197(5) . ?
N5 C22 1.466(13) . ?
N6 C24 1.42(2) . ?
N3 O6' 1.191(5) . ?
N3 O7' 1.193(5) . ?
N3 O7 1.193(5) . ?
N3 O6 1.193(5) . ?
N3 C16 1.45(2) . ?
N4 C18 1.45(2) . ?
C8 C7 1.479(2) . ?
C8 C7' 1.480(3) . ?
C8 C6' 2.01(3) . ?
C10 C9 1.480(2) . ?
C10 C9' 1.480(2) . ?
C11 C1 1.505(5) . ?
C11 C1' 1.505(5) . ?
C12 C3' 1.506(5) . ?
C12 C3 1.506(5) . ?
C14 C9' 1.510(5) . ?
C14 C9 1.511(5) . ?
C15 C20 1.42(2) . ?
C15 C16 1.41(2) . ?
C16 C17 1.38(2) . ?
C17 C18 1.33(2) . ?
C18 C19 1.42(2) . ?
C19 C20 1.37(2) . ?
C21 C26 1.41(2) . ?
C21 C22 1.412(14) . ?
C22 C23 1.382(14) . ?
C23 C24 1.35(2) . ?
C24 C25 1.39(2) . ?
C25 C26 1.35(2) . ?
O2W Sr 2.726(6) 2_566 ?
O1 C1 1.440(2) . ?
O3 C7 1.440(2) . ?
C1 C2 1.482(3) . ?
C3 C4 1.478(2) . ?
C5 C6 1.480(2) . ?
C7 C13 1.510(5) . ?
O1' C1' 1.440(3) . ?
O3' C7' 1.442(3) . ?
C1' C2' 1.480(3) . ?
C3' C4' 1.479(2) . ?
C5' C6' 1.480(3) . ?
C7' C13' 1.508(5) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1' Sr O2 C3' 60.9(17) . . . . ?
O3 Sr O2 C3' -76.3(18) . . . . ?
O1 Sr O2 C3' 43.6(16) . . . . ?
O4 Sr O2 C3' -106.7(16) . . . . ?
O3' Sr O2 C3' -13.3(20) . . . . ?
O2W Sr O2 C3' -177.0(16) . . . . ?
O1W Sr O2 C3' 108.4(16) . . . . ?
O2W Sr O2 C3' 127.5(15) 2_566 . . . ?
N1 Sr O2 C3' 7.5(15) . . . . ?
N2 Sr O2 C3' -49.3(16) . . . . ?
Sr Sr O2 C3' 158.6(15) 2_566 . . . ?
O1' Sr O2 C3 25.4(13) . . . . ?
O3 Sr O2 C3 -111.9(13) . . . . ?
O1 Sr O2 C3 8.0(12) . . . . ?
O4 Sr O2 C3 -142.2(12) . . . . ?
O3' Sr O2 C3 -48.9(17) . . . . ?
O2W Sr O2 C3 147.4(12) . . . . ?
O1W Sr O2 C3 72.8(12) . . . . ?
O2W Sr O2 C3 91.9(12) 2_566 . . . ?
N1 Sr O2 C3 -28.1(11) . . . . ?
N2 Sr O2 C3 -84.9(12) . . . . ?
Sr Sr O2 C3 123.0(11) 2_566 . . . ?
O1' Sr O4 C9' 2.3(33) . . . . ?
O3 Sr O4 C9' -91.2(10) . . . . ?
O2 Sr O4 C9' 78.1(9) . . . . ?
O1 Sr O4 C9' -31.4(13) . . . . ?
O3' Sr O4 C9' -69.7(11) . . . . ?
O2W Sr O4 C9' 160.5(10) . . . . ?
O1W Sr O4 C9' 118.2(9) . . . . ?
O2W Sr O4 C9' -154.7(9) 2_566 . . . ?
N1 Sr O4 C9' 22.2(10) . . . . ?
N2 Sr O4 C9' -29.7(9) . . . . ?
Sr Sr O4 C9' -178.9(9) 2_566 . . . ?
O1' Sr O4 C9 45.8(33) . . . . ?
O3 Sr O4 C9 -47.7(10) . . . . ?
O2 Sr O4 C9 121.5(10) . . . . ?
O1 Sr O4 C9 12.1(13) . . . . ?
O3' Sr O4 C9 -26.2(12) . . . . ?
O2W Sr O4 C9 -156.0(10) . . . . ?
O1W Sr O4 C9 161.7(9) . . . . ?
O2W Sr O4 C9 -111.2(9) 2_566 . . . ?
N1 Sr O4 C9 65.7(10) . . . . ?
N2 Sr O4 C9 13.8(9) . . . . ?
Sr Sr O4 C9 -135.4(9) 2_566 . . . ?
O1' Sr N1 C4' -132.0(17) . . . . ?
O3 Sr N1 C4' 145.7(15) . . . . ?
O2 Sr N1 C4' -10.8(15) . . . . ?
O1 Sr N1 C4' -153.3(15) . . . . ?
O4 Sr N1 C4' 52.6(15) . . . . ?
O3' Sr N1 C4' 158.7(16) . . . . ?
O2W Sr N1 C4' -17.5(15) . . . . ?
O1W Sr N1 C4' -73.9(15) . . . . ?
O2W Sr N1 C4' -130.6(15) 2_566 . . . ?
N2 Sr N1 C4' 102.4(15) . . . . ?
Sr Sr N1 C4' -81.4(15) 2_566 . . . ?
O1' Sr N1 C5' 106.9(15) . . . . ?
O3 Sr N1 C5' 24.5(13) . . . . ?
O2 Sr N1 C5' -132.0(13) . . . . ?
O1 Sr N1 C5' 85.5(13) . . . . ?
O4 Sr N1 C5' -68.5(13) . . . . ?
O3' Sr N1 C5' 37.6(14) . . . . ?
O2W Sr N1 C5' -138.6(13) . . . . ?
O1W Sr N1 C5' 165.0(13) . . . . ?
O2W Sr N1 C5' 108.3(13) 2_566 . . . ?
N2 Sr N1 C5' -18.7(13) . . . . ?
Sr Sr N1 C5' 157.4(12) 2_566 . . . ?
O1' Sr N1 C4 -103.3(14) . . . . ?
O3 Sr N1 C4 174.4(12) . . . . ?
O2 Sr N1 C4 17.9(12) . . . . ?
O1 Sr N1 C4 -124.7(13) . . . . ?
O4 Sr N1 C4 81.3(12) . . . . ?
O3' Sr N1 C4 -172.6(13) . . . . ?
O2W Sr N1 C4 11.2(13) . . . . ?
O1W Sr N1 C4 -45.2(12) . . . . ?
O2W Sr N1 C4 -101.9(12) 2_566 . . . ?
N2 Sr N1 C4 131.1(12) . . . . ?
Sr Sr N1 C4 -52.8(13) 2_566 . . . ?
O1' Sr N1 C5 143.3(13) . . . . ?
O3 Sr N1 C5 61.0(10) . . . . ?
O2 Sr N1 C5 -95.5(10) . . . . ?
O1 Sr N1 C5 122.0(11) . . . . ?
O4 Sr N1 C5 -32.1(10) . . . . ?
O3' Sr N1 C5 74.0(11) . . . . ?
O2W Sr N1 C5 -102.2(10) . . . . ?
O1W Sr N1 C5 -158.6(10) . . . . ?
O2W Sr N1 C5 144.7(10) 2_566 . . . ?
N2 Sr N1 C5 17.8(10) . . . . ?
Sr Sr N1 C5 -166.1(9) 2_566 . . . ?
O1' Sr N1 C2' -4.8(12) . . . . ?
O3 Sr N1 C2' -87.1(10) . . . . ?
O2 Sr N1 C2' 116.4(10) . . . . ?
O1 Sr N1 C2' -26.2(10) . . . . ?
O4 Sr N1 C2' 179.8(10) . . . . ?
O3' Sr N1 C2' -74.1(11) . . . . ?
O2W Sr N1 C2' 109.7(10) . . . . ?
O1W Sr N1 C2' 53.3(10) . . . . ?
O2W Sr N1 C2' -3.4(11) 2_566 . . . ?
N2 Sr N1 C2' -130.4(10) . . . . ?
Sr Sr N1 C2' 45.7(11) 2_566 . . . ?
O1' Sr N1 C2 26.2(16) . . . . ?
O3 Sr N1 C2 -56.1(14) . . . . ?
O2 Sr N1 C2 147.4(14) . . . . ?
O1 Sr N1 C2 4.9(14) . . . . ?
O4 Sr N1 C2 -149.2(14) . . . . ?
O3' Sr N1 C2 -43.1(15) . . . . ?
O2W Sr N1 C2 140.7(14) . . . . ?
O1W Sr N1 C2 84.3(14) . . . . ?
O2W Sr N1 C2 27.6(15) 2_566 . . . ?
N2 Sr N1 C2 -99.4(14) . . . . ?
Sr Sr N1 C2 76.8(14) 2_566 . . . ?
O1' Sr N2 C8 75.3(10) . . . . ?
O3 Sr N2 C8 -9.0(8) . . . . ?
O2 Sr N2 C8 -178.3(8) . . . . ?
O1 Sr N2 C8 67.5(8) . . . . ?
O4 Sr N2 C8 -111.6(8) . . . . ?
O3' Sr N2 C8 22.3(10) . . . . ?
O2W Sr N2 C8 -99.6(8) . . . . ?
O1W Sr N2 C8 134.5(8) . . . . ?
O2W Sr N2 C8 5.0(9) 2_566 . . . ?
N1 Sr N2 C8 126.6(8) . . . . ?
Sr Sr N2 C8 -50.0(9) 2_566 . . . ?
O1' Sr N2 C6 -49.3(11) . . . . ?
O3 Sr N2 C6 -133.6(11) . . . . ?
O2 Sr N2 C6 57.1(10) . . . . ?
O1 Sr N2 C6 -57.0(10) . . . . ?
O4 Sr N2 C6 123.8(11) . . . . ?
O3' Sr N2 C6 -102.3(13) . . . . ?
O2W Sr N2 C6 135.8(10) . . . . ?
O1W Sr N2 C6 9.9(13) . . . . ?
O2W Sr N2 C6 -119.5(10) 2_566 . . . ?
N1 Sr N2 C6 2.1(10) . . . . ?
Sr Sr N2 C6 -174.6(9) 2_566 . . . ?
O1' Sr N2 C6' -18.9(19) . . . . ?
O3 Sr N2 C6' -103.2(18) . . . . ?
O2 Sr N2 C6' 87.5(18) . . . . ?
O1 Sr N2 C6' -26.6(18) . . . . ?
O4 Sr N2 C6' 154.2(18) . . . . ?
O3' Sr N2 C6' -71.9(19) . . . . ?
O2W Sr N2 C6' 166.2(18) . . . . ?
O1W Sr N2 C6' 40.3(19) . . . . ?
O2W Sr N2 C6' -89.1(18) 2_566 . . . ?
N1 Sr N2 C6' 32.4(18) . . . . ?
Sr Sr N2 C6' -144.2(18) 2_566 . . . ?
O1' Sr N2 C10 -163.7(10) . . . . ?
O3 Sr N2 C10 112.0(9) . . . . ?
O2 Sr N2 C10 -57.3(9) . . . . ?
O1 Sr N2 C10 -171.4(9) . . . . ?
O4 Sr N2 C10 9.4(9) . . . . ?
O3' Sr N2 C10 143.3(11) . . . . ?
O2W Sr N2 C10 21.4(9) . . . . ?
O1W Sr N2 C10 -104.5(10) . . . . ?
O2W Sr N2 C10 126.1(8) 2_566 . . . ?
N1 Sr N2 C10 -112.4(9) . . . . ?
Sr Sr N2 C10 71.0(9) 2_566 . . . ?
C6 N2 C8 C7 155.9(13) . . . . ?
C6' N2 C8 C7 138.7(23) . . . . ?
C10 N2 C8 C7 -92.0(14) . . . . ?
Sr N2 C8 C7 31.4(15) . . . . ?
C6 N2 C8 C7' 85.3(22) . . . . ?
C6' N2 C8 C7' 68.1(28) . . . . ?
C10 N2 C8 C7' -162.6(20) . . . . ?
Sr N2 C8 C7' -39.2(21) . . . . ?
C6 N2 C8 C6' 17.2(20) . . . . ?
C6' N2 C8 C6' 0.000(5) . . . . ?
C10 N2 C8 C6' 129.3(21) . . . . ?
Sr N2 C8 C6' -107.3(20) . . . . ?
C8 N2 C10 C9 89.7(13) . . . . ?
C6 N2 C10 C9 -151.8(12) . . . . ?
C6' N2 C10 C9 -167.4(14) . . . . ?
Sr N2 C10 C9 -31.5(14) . . . . ?
C8 N2 C10 C9' 130.1(13) . . . . ?
C6 N2 C10 C9' -111.4(14) . . . . ?
C6' N2 C10 C9' -127.1(16) . . . . ?
Sr N2 C10 C9' 8.9(16) . . . . ?
O5 C15 C16 C17 179.9(13) . . . . ?
C20 C15 C16 C17 2.6(19) . . . . ?
O5 C15 C16 N3 -1.1(21) . . . . ?
C20 C15 C16 N3 -178.5(13) . . . . ?
O6' N3 C16 C17 -156.8(24) . . . . ?
O7' N3 C16 C17 33.7(31) . . . . ?
O7 N3 C16 C17 -22.1(26) . . . . ?
O6 N3 C16 C17 158.0(21) . . . . ?
O6' N3 C16 C15 24.2(30) . . . . ?
O7' N3 C16 C15 -145.3(26) . . . . ?
O7 N3 C16 C15 158.8(18) . . . . ?
O6 N3 C16 C15 -21.0(29) . . . . ?
C15 C16 C17 C18 -0.7(23) . . . . ?
N3 C16 C17 C18 -179.6(15) . . . . ?
C16 C17 C18 C19 -1.2(23) . . . . ?
C16 C17 C18 N4 179.0(14) . . . . ?
O8 N4 C18 C17 2.6(27) . . . . ?
O9 N4 C18 C17 177.7(18) . . . . ?
O8 N4 C18 C19 -177.2(18) . . . . ?
O9 N4 C18 C19 -2.1(26) . . . . ?
C17 C18 C19 C20 0.9(21) . . . . ?
N4 C18 C19 C20 -179.3(13) . . . . ?
C18 C19 C20 C15 1.3(20) . . . . ?
O5 C15 C20 C19 179.7(12) . . . . ?
C16 C15 C20 C19 -2.9(19) . . . . ?
O10 C21 C22 C23 179.3(11) . . . . ?
C26 C21 C22 C23 2.6(17) . . . . ?
O10 C21 C22 N5 -1.3(17) . . . . ?
C26 C21 C22 N5 -178.1(11) . . . . ?
O12 N5 C22 C23 3.8(16) . . . . ?
O11' N5 C22 C23 155.5(15) . . . . ?
O11 N5 C22 C23 -154.0(13) . . . . ?
O12 N5 C22 C21 -175.6(12) . . . . ?
O11' N5 C22 C21 -23.8(19) . . . . ?
O11 N5 C22 C21 26.6(18) . . . . ?
C21 C22 C23 C24 -0.4(17) . . . . ?
N5 C22 C23 C24 -179.7(10) . . . . ?
C22 C23 C24 C25 -2.0(19) . . . . ?
C22 C23 C24 N6 178.9(11) . . . . ?
O14 N6 C24 C23 -179.2(15) . . . . ?
O13 N6 C24 C23 3.0(20) . . . . ?
O14 N6 C24 C25 1.7(22) . . . . ?
O13 N6 C24 C25 -176.0(14) . . . . ?
C23 C24 C25 C26 2.1(22) . . . . ?
N6 C24 C25 C26 -178.9(14) . . . . ?
C24 C25 C26 C21 0.4(24) . . . . ?
O10 C21 C26 C25 -179.4(14) . . . . ?
C22 C21 C26 C25 -2.6(20) . . . . ?
O1' Sr O2W Sr -40.9(7) . . . 2_566 ?
O3 Sr O2W Sr 63.7(3) . . . 2_566 ?
O2 Sr O2W Sr -138.4(3) . . . 2_566 ?
O1 Sr O2W Sr -26.5(5) . . . 2_566 ?
O4 Sr O2W Sr 144.6(3) . . . 2_566 ?
O3' Sr O2W Sr 52.8(8) . . . 2_566 ?
O1W Sr O2W Sr -70.5(3) . . . 2_566 ?
O2W Sr O2W Sr 0.0 2_566 . . 2_566 ?
N1 Sr O2W Sr -132.3(3) . . . 2_566 ?
N2 Sr O2W Sr 133.2(3) . . . 2_566 ?
Sr Sr O2W Sr 0.000(2) 2_566 . . 2_566 ?
O1' Sr O1 C1 -83.1(19) . . . . ?
O3 Sr O1 C1 137.9(12) . . . . ?
O2 Sr O1 C1 -23.0(12) . . . . ?
O4 Sr O1 C1 75.9(14) . . . . ?
O3' Sr O1 C1 124.3(14) . . . . ?
O2W Sr O1 C1 -121.4(10) . . . . ?
O1W Sr O1 C1 -79.6(11) . . . . ?
O2W Sr O1 C1 -148.4(12) 2_566 . . . ?
N1 Sr O1 C1 13.1(10) . . . . ?
N2 Sr O1 C1 74.4(11) . . . . ?
Sr Sr O1 C1 -137.6(11) 2_566 . . . ?
O1' Sr O3 C7 -123.0(12) . . . . ?
O2 Sr O3 C7 15.6(16) . . . . ?
O1 Sr O3 C7 -110.3(11) . . . . ?
O4 Sr O3 C7 44.6(11) . . . . ?
O3' Sr O3 C7 -86.7(17) . . . . ?
O2W Sr O3 C7 110.7(11) . . . . ?
O1W Sr O3 C7 -170.6(10) . . . . ?
O2W Sr O3 C7 176.3(12) 2_566 . . . ?
N1 Sr O3 C7 -58.0(11) . . . . ?
N2 Sr O3 C7 -14.4(10) . . . . ?
Sr Sr O3 C7 143.3(11) 2_566 . . . ?
Sr O1 C1 C2 -28.9(23) . . . . ?
Sr O1 C1 C11 140.0(11) . . . . ?
C1' C11 C1 O1 -76.4(18) . . . . ?
C1' C11 C1 C2 89.9(26) . . . . ?
C4' N1 C2 C1 133.4(22) . . . . ?
C5' N1 C2 C1 -126.5(26) . . . . ?
C4 N1 C2 C1 109.4(23) . . . . ?
C5 N1 C2 C1 -143.9(21) . . . . ?
C2' N1 C2 C1 63.5(23) . . . . ?
Sr N1 C2 C1 -21.6(28) . . . . ?
O1 C1 C2 N1 32.3(31) . . . . ?
C11 C1 C2 N1 -134.2(21) . . . . ?
C3' O2 C3 C4 -76.2(26) . . . . ?
Sr O2 C3 C4 37.1(22) . . . . ?
C3' O2 C3 C12 66.7(11) . . . . ?
Sr O2 C3 C12 -180.0(11) . . . . ?
C3' C12 C3 O2 -66.3(10) . . . . ?
C3' C12 C3 C4 75.7(28) . . . . ?
C4' N1 C4 C3 88.9(33) . . . . ?
C5' N1 C4 C3 136.0(19) . . . . ?
C5 N1 C4 C3 112.7(21) . . . . ?
C2' N1 C4 C3 -118.2(21) . . . . ?
C2 N1 C4 C3 -138.8(20) . . . . ?
Sr N1 C4 C3 -7.7(24) . . . . ?
O2 C3 C4 N1 -17.4(29) . . . . ?
C12 C3 C4 N1 -157.6(16) . . . . ?
C4' N1 C5 C6 -148.7(21) . . . . ?
C5' N1 C5 C6 55.2(20) . . . . ?
C4 N1 C5 C6 -159.2(17) . . . . ?
C2' N1 C5 C6 102.8(20) . . . . ?
C2 N1 C5 C6 86.1(20) . . . . ?
Sr N1 C5 C6 -37.6(20) . . . . ?
C8 N2 C6 C5 -146.4(16) . . . . ?
C6' N2 C6 C5 -108.7(34) . . . . ?
C10 N2 C6 C5 97.4(18) . . . . ?
Sr N2 C6 C5 -23.4(20) . . . . ?
N1 C5 C6 N2 43.6(27) . . . . ?
Sr O3 C7 C8 35.8(18) . . . . ?
Sr O3 C7 C13 178.1(16) . . . . ?
N2 C8 C7 O3 -44.7(20) . . . . ?
C7' C8 C7 O3 74.2(16) . . . . ?
C6' C8 C7 O3 8.8(31) . . . . ?
N2 C8 C7 C13 175.1(19) . . . . ?
C7' C8 C7 C13 -66.0(22) . . . . ?
C6' C8 C7 C13 -131.4(25) . . . . ?
C9' O4 C9 C10 63.5(8) . . . . ?
Sr O4 C9 C10 -33.6(13) . . . . ?
C9' O4 C9 C14 -63.3(9) . . . . ?
Sr O4 C9 C14 -160.3(9) . . . . ?
N2 C10 C9 O4 41.7(15) . . . . ?
C9' C10 C9 O4 -63.1(8) . . . . ?
N2 C10 C9 C14 165.7(13) . . . . ?
C9' C10 C9 C14 60.9(9) . . . . ?
C9' C14 C9 O4 62.7(9) . . . . ?
C9' C14 C9 C10 -60.7(8) . . . . ?
O3 Sr O1' C1' 124.5(23) . . . . ?
O2 Sr O1' C1' -41.0(24) . . . . ?
O1 Sr O1' C1' 84.5(27) . . . . ?
O4 Sr O1' C1' 31.5(49) . . . . ?
O3' Sr O1' C1' 107.4(24) . . . . ?
O2W Sr O1' C1' -124.0(21) . . . . ?
O1W Sr O1' C1' -91.5(23) . . . . ?
O2W Sr O1' C1' -168.6(26) 2_566 . . . ?
N1 Sr O1' C1' 10.2(21) . . . . ?
N2 Sr O1' C1' 60.8(24) . . . . ?
Sr Sr O1' C1' -147.3(23) 2_566 . . . ?
O1' Sr O3' C7' -140.5(29) . . . . ?
O3 Sr O3' C7' 78.3(30) . . . . ?
O2 Sr O3' C7' -57.1(34) . . . . ?
O1 Sr O3' C7' -131.1(30) . . . . ?
O4 Sr O3' C7' 26.9(29) . . . . ?
O2W Sr O3' C7' 101.2(26) . . . . ?
O1W Sr O3' C7' -161.2(24) . . . . ?
O2W Sr O3' C7' 153.0(29) 2_566 . . . ?
N1 Sr O3' C7' -75.5(27) . . . . ?
N2 Sr O3' C7' -14.2(25) . . . . ?
Sr Sr O3' C7' 131.0(26) 2_566 . . . ?
Sr O1' C1' C2' -13.8(33) . . . . ?
Sr O1' C1' C11 -157.6(15) . . . . ?
C1 C11 C1' O1' 84.8(25) . . . . ?
C1 C11 C1' C2' -58.2(19) . . . . ?
C4' N1 C2' C1' 128.4(21) . . . . ?
C5' N1 C2' C1' -116.1(23) . . . . ?
C4 N1 C2' C1' 115.8(22) . . . . ?
C5 N1 C2' C1' -141.2(19) . . . . ?
C2 N1 C2' C1' -106.3(29) . . . . ?
Sr N1 C2' C1' 0.3(23) . . . . ?
O1' C1' C2' N1 7.9(33) . . . . ?
C11 C1' C2' N1 151.8(17) . . . . ?
C3 O2 C3' C4' 83.4(32) . . . . ?
Sr O2 C3' C4' -3.0(31) . . . . ?
C3 O2 C3' C12 -66.8(11) . . . . ?
Sr O2 C3' C12 -153.2(12) . . . . ?
C3 C12 C3' O2 66.4(11) . . . . ?
C3 C12 C3' C4' -80.2(36) . . . . ?
C5' N1 C4' C3' 137.3(26) . . . . ?
C4 N1 C4' C3' -80.5(36) . . . . ?
C5 N1 C4' C3' 123.5(29) . . . . ?
C2' N1 C4' C3' -110.2(26) . . . . ?
C2 N1 C4' C3' -140.1(23) . . . . ?
Sr N1 C4' C3' 14.9(32) . . . . ?
O2 C3' C4' N1 -8.8(39) . . . . ?
C12 C3' C4' N1 137.0(23) . . . . ?
C4' N1 C5' C6' -121.5(32) . . . . ?
C4 N1 C5' C6' -141.3(29) . . . . ?
C5 N1 C5' C6' -97.2(36) . . . . ?
C2' N1 C5' C6' 119.2(31) . . . . ?
C2 N1 C5' C6' 114.2(33) . . . . ?
Sr N1 C5' C6' 3.6(34) . . . . ?
C8 N2 C6' C5' -155.6(37) . . . . ?
C6 N2 C6' C5' 58.9(26) . . . . ?
C10 N2 C6' C5' 91.8(37) . . . . ?
Sr N2 C6' C5' -46.1(41) . . . . ?
C8 N2 C6' C8 0.000(7) . . . . ?
C6 N2 C6' C8 -145.5(28) . . . . ?
C10 N2 C6' C8 -112.6(14) . . . . ?
Sr N2 C6' C8 109.5(9) . . . . ?
N1 C5' C6' N2 31.4(54) . . . . ?
N1 C5' C6' C8 -10.3(86) . . . . ?
N2 C8 C6' N2 0.000(10) . . . . ?
C7 C8 C6' N2 -78.6(31) . . . . ?
C7' C8 C6' N2 -131.2(19) . . . . ?
N2 C8 C6' C5' 56.3(57) . . . . ?
C7 C8 C6' C5' -22.2(82) . . . . ?
C7' C8 C6' C5' -74.9(68) . . . . ?
Sr O3' C7' C8 1.8(34) . . . . ?
Sr O3' C7' C13' -117.7(21) . . . . ?
N2 C8 C7' O3' 27.5(30) . . . . ?
C7 C8 C7' O3' -75.5(21) . . . . ?
C6' C8 C7' O3' 70.9(23) . . . . ?
N2 C8 C7' C13' 151.9(16) . . . . ?
C7 C8 C7' C13' 48.8(19) . . . . ?
C6' C8 C7' C13' -164.7(20) . . . . ?
C9 O4 C9' C10 -63.5(8) . . . . ?
Sr O4 C9' C10 44.5(14) . . . . ?
C9 O4 C9' C14 63.4(10) . . . . ?
Sr O4 C9' C14 171.4(9) . . . . ?
N2 C10 C9' O4 -32.6(17) . . . . ?
C9 C10 C9' O4 63.2(8) . . . . ?
N2 C10 C9' C14 -156.7(13) . . . . ?
C9 C10 C9' C14 -61.0(9) . . . . ?
C9 C14 C9' O4 -62.8(9) . . . . ?
C9 C14 C9' C10 60.7(9) . . . . ?
