#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/24/2012426.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2012426
loop_
_publ_author_name
'Glidewell, Christopher'
'Low, John N.'
'Arranz Mascarós, Paloma'
'Cuesta Martos, Rafael'
'Gutiérrez Valero, Ma Dolores'
_publ_section_title
;catena-Poly[[[{N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinato-O}pentaaquastrontium]-μ-N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinato-O:O']
 monohydrate]: coordination polymer chains linked by hydrogen bonds into a
 three-dimensional framework
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m61
_journal_page_last               m64
_journal_paper_doi               10.1107/S0108270101017887
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C14 H26 N10 O13 Sr, H2 O'
_chemical_formula_sum            'C14 H28 N10 O14 Sr'
_chemical_formula_weight         648.08
_chemical_name_systematic
;
catena-Poly[penta-aquabis{N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-
4-oxopyrimidin-2-yl)glycinate}strontium monohydrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 92.4950(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.0078(8)
_cell_length_b                   6.74160(10)
_cell_length_c                   14.3677(4)
_cell_measurement_reflns_used    5162
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      2.99
_cell_volume                     2419.99(11)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'Kappa-CCD server software (Nonius, 1997)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2001)'
_computing_publication_material
'SHELXL-97 (Sheldrick, 1997) and PRPKAPPA (Ferguson, 1999)'
_computing_structure_refinement  ' SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full .995
_diffrn_measured_fraction_theta_max .932
_diffrn_measurement_device_type  Kappa-CCD
_diffrn_measurement_method       'φ scans and ω scans with κ offsets'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0494
_diffrn_reflns_av_sigmaI/netI    .0527
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10993
_diffrn_reflns_theta_full        25.5
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.99
_diffrn_standards_decay_%        negligible
_exptl_absorpt_coefficient_mu    2.319
_exptl_absorpt_correction_T_max  .654
_exptl_absorpt_correction_T_min  .415
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.779
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          .46
_exptl_crystal_size_mid          .28
_exptl_crystal_size_min          .20
_refine_diff_density_max         .622
_refine_diff_density_min         -.692
_refine_ls_extinction_coef       .0151(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         5162
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          .0523
_refine_ls_R_factor_gt           .0395
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0486P)²+1.7980P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          .0957
_refine_ls_wR_factor_ref         .1021
_reflns_number_gt                4318
_reflns_number_total             5162
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            fr1349.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2012426
_cod_database_fobs_code          2012426
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Sr1 .278327(10) .14831(4) .407412(18) .01843(11) Uani d . 1 . . Sr
N11 .01874(9) .2683(4) .53178(17) .0208(5) Uani d . 1 . . N
C12 .05038(11) .2338(4) .4614(2) .0205(6) Uani d . 1 . . C
N12 .10277(9) .2441(4) .47859(17) .0220(5) Uani d . 1 . . N
C121 .12639(11) .3021(4) .5692(2) .0218(6) Uani d . 1 . . C
C122 .18571(11) .3467(4) .5615(2) .0210(6) Uani d . 1 . . C
O121 .20475(8) .3312(3) .48286(15) .0266(5) Uani d . 1 . . O
O122 .21081(8) .3955(3) .63527(15) .0262(5) Uani d . 1 . . O
C13 .06986(12) .1649(5) .2968(2) .0264(7) Uani d . 1 . . C
N13 .03225(9) .1908(4) .37172(17) .0214(5) Uani d . 1 . . N
C14 -.02214(11) .1642(4) .3499(2) .0213(6) Uani d . 1 . . C
O14 -.03737(8) .1097(3) .27222(15) .0289(5) Uani d . 1 . . O
C15 -.05790(11) .2048(4) .4251(2) .0194(6) Uani d . 1 . . C
N15 -.11010(10) .1790(4) .40233(18) .0234(5) Uani d . 1 . . N
O15 -.14334(8) .2143(3) .46589(15) .0264(5) Uani d . 1 . . O
C16 -.03460(11) .2595(4) .5153(2) .0210(6) Uani d . 1 . . C
N16 -.06507(10) .3018(4) .58490(18) .0240(5) Uani d . 1 . . N
N21 .45799(10) -.1293(3) .17412(17) .0204(5) Uani d . 1 . . N
C22 .42906(11) -.1471(4) .0951(2) .0193(6) Uani d . 1 . . C
N22 .37728(9) -.1013(4) .09359(17) .0202(5) Uani d . 1 . . N
C221 .35075(11) -.0345(4) .17601(19) .0208(6) Uani d . 1 . . C
C222 .32671(11) -.2006(4) .2331(2) .0198(6) Uani d . 1 . . C
O221 .31165(8) -.1533(3) .31213(14) .0227(4) Uani d . 1 . . O
O222 .32238(9) -.3706(3) .19718(15) .0276(5) Uani d . 1 . . O
C23 .41327(11) -.2412(5) -.0713(2) .0233(6) Uani d . 1 . . C
N23 .44894(9) -.2118(4) .01147(16) .0196(5) Uani d . 1 . . N
C24 .50256(11) -.2608(4) .0059(2) .0206(6) Uani d . 1 . . C
O24 .51986(8) -.3288(3) -.06648(14) .0259(5) Uani d . 1 . . O
C25 .53598(11) -.2266(4) .0896(2) .0197(6) Uani d . 1 . . C
N25 .58752(9) -.2685(4) .07911(17) .0223(5) Uani d . 1 . . N
O25 .62163(8) -.2452(3) .14750(14) .0243(4) Uani d . 1 . . O
C26 .51094(11) -.1593(4) .1726(2) .0205(6) Uani d . 1 . . C
N26 .54082(10) -.1304(4) .24855(17) .0250(6) Uani d . 1 . . N
O1 .25470(8) .3568(3) .26200(14) .0247(5) Uani d . 1 . . O
O2 .34375(8) .1136(3) .55056(15) .0255(5) Uani d . 1 . . O
O3 .29895(8) .5366(3) .44185(14) .0227(4) Uani d . 1 . . O
O4 .24605(8) -.1119(3) .52799(15) .0299(5) Uani d . 1 . . O
O5 .19435(8) -.0023(3) .32021(15) .0260(5) Uani d . 1 . . O
O6 .15973(9) -.3963(3) .29473(16) .0298(5) Uani d . 1 . . O
H12 .1242 .2149 .4336 .026 Uiso calc R 1 . . H
H12A .1218 .1936 .6146 .026 Uiso calc R 1 . . H
H12B .1079 .4212 .5921 .026 Uiso calc R 1 . . H
H13A .0914 .0454 .3088 .040 Uiso calc R 1 . . H
H13B .0935 .2807 .2948 .040 Uiso calc R 1 . . H
H13C .0498 .1513 .2371 .040 Uiso calc R 1 . . H
H16A -.0504 .3343 .6396 .029 Uiso calc R 1 . . H
H16B -.1001 .2977 .5768 .029 Uiso calc R 1 . . H
H22 .3584 -.1119 .0407 .024 Uiso calc R 1 . . H
H22A .3219 .0590 .1565 .025 Uiso calc R 1 . . H
H22B .3769 .0393 .2164 .025 Uiso calc R 1 . . H
H23A .3842 -.3314 -.0561 .035 Uiso calc R 1 . . H
H23B .4336 -.2987 -.1215 .035 Uiso calc R 1 . . H
H23C .3982 -.1133 -.0916 .035 Uiso calc R 1 . . H
H26A .5261 -.0916 .3000 .030 Uiso calc R 1 . . H
H26B .5756 -.1498 .2481 .030 Uiso calc R 1 . . H
H11C .2817 .4222 .2405 .030 Uiso d R 1 . . H
H12D .2337 .2858 .2165 .030 Uiso d R 1 . . H
H21C .3793 .1390 .5398 .031 Uiso d R 1 . . H
H22D .3489 .0223 .5938 .031 Uiso d R 1 . . H
H31C .3052 .6360 .4020 .027 Uiso d R 1 . . H
H32D .2696 .5802 .4805 .027 Uiso d R 1 . . H
H41C .2111 -.1501 .5350 .036 Uiso d R 1 . . H
H42D .2670 -.1227 .5810 .036 Uiso d R 1 . . H
H51C .1875 -.1460 .3263 .031 Uiso d R 1 . . H
H51D .1976 .0242 .2603 .031 Uiso d R 1 . . H
H61C .1412 -.3777 .2341 .036 Uiso d R 1 . . H
H62D .1916 -.4864 .2983 .036 Uiso d R 1 . . H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .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_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O121 Sr1 O1 . 86.28(7) no
O121 Sr1 O2 . 98.75(7) no
O1 Sr1 O2 . 144.45(7) no
O121 Sr1 O5 . 78.91(7) no
O1 Sr1 O5 . 70.70(7) no
O2 Sr1 O5 . 144.84(7) no
O121 Sr1 O221 . 150.43(7) no
O1 Sr1 O221 . 93.85(6) no
O2 Sr1 O221 . 98.14(7) no
O5 Sr1 O221 . 73.31(6) no
O121 Sr1 O4 . 77.85(7) no
O1 Sr1 O4 . 147.08(7) no
O2 Sr1 O4 . 67.36(7) no
O5 Sr1 O4 . 77.98(7) no
O221 Sr1 O4 . 86.55(7) no
O121 Sr1 O3 . 65.31(6) no
O1 Sr1 O3 . 69.79(6) no
O2 Sr1 O3 . 80.40(6) no
O5 Sr1 O3 . 127.41(6) no
O221 Sr1 O3 . 141.86(6) no
O4 Sr1 O3 . 126.04(7) no
O121 Sr1 O25 2_655 133.72(6) no
O1 Sr1 O25 2_655 78.68(6) no
O2 Sr1 O25 2_655 72.51(6) no
O5 Sr1 O25 2_655 133.48(6) no
O221 Sr1 O25 2_655 74.79(6) no
O4 Sr1 O25 2_655 132.46(6) no
O3 Sr1 O25 2_655 68.41(6) no
C12 N11 C16 . 118.5(3) no
N12 C12 N11 . 117.7(3) no
N12 C12 N13 . 117.9(3) no
N11 C12 N13 . 124.4(3) no
C12 N12 C121 . 122.6(2) no
C12 N12 H12 . 118.7 no
C121 N12 H12 . 118.7 no
N12 C121 C122 . 110.2(2) no
N12 C121 H12A . 109.6 no
C122 C121 H12A . 109.6 no
N12 C121 H12B . 109.6 no
C122 C121 H12B . 109.6 no
H12A C121 H12B . 108.1 no
O121 C122 O122 . 126.2(3) no
O121 C122 C121 . 117.4(3) no
O122 C122 C121 . 116.4(3) no
C122 O121 Sr1 . 138.56(19) no
N13 C13 H13A . 109.5 no
N13 C13 H13B . 109.5 no
H13A C13 H13B . 109.5 no
N13 C13 H13C . 109.5 no
H13A C13 H13C . 109.5 no
H13B C13 H13C . 109.5 no
C12 N13 C14 . 121.0(2) no
C12 N13 C13 . 121.0(2) no
C14 N13 C13 . 118.0(2) no
O14 C14 N13 . 120.4(3) no
O14 C14 C15 . 123.9(3) no
N13 C14 C15 . 115.7(3) no
N15 C15 C16 . 126.9(3) no
N15 C15 C14 . 114.6(3) no
C16 C15 C14 . 118.4(2) no
O15 N15 C15 . 117.1(2) no
N16 C16 N11 . 117.4(3) no
N16 C16 C15 . 120.9(3) no
N11 C16 C15 . 121.7(3) no
C16 N16 H16A . 120.0 no
C16 N16 H16B . 120.0 no
H16A N16 H16B . 120.0 no
C22 N21 C26 . 118.4(3) no
N21 C22 N22 . 119.2(3) no
N21 C22 N23 . 124.5(3) no
N22 C22 N23 . 116.3(3) no
C22 N22 C221 . 122.5(2) no
C22 N22 H22 . 118.8 no
C221 N22 H22 . 118.8 no
N22 C221 C222 . 114.5(2) no
N22 C221 H22A . 108.6 no
C222 C221 H22A . 108.6 no
N22 C221 H22B . 108.6 no
C222 C221 H22B . 108.6 no
H22A C221 H22B . 107.6 no
O221 C222 O222 . 125.3(3) no
O221 C222 C221 . 116.2(2) no
O222 C222 C221 . 118.5(2) no
C222 O221 Sr1 . 142.12(19) no
N23 C23 H23A . 109.5 no
N23 C23 H23B . 109.5 no
H23A C23 H23B . 109.5 no
N23 C23 H23C . 109.5 no
H23A C23 H23C . 109.5 no
H23B C23 H23C . 109.5 no
C24 N23 C22 . 120.5(2) no
C24 N23 C23 . 118.4(2) no
C22 N23 C23 . 121.0(2) no
O24 C24 N23 . 120.9(3) no
O24 C24 C25 . 123.2(3) no
N23 C24 C25 . 115.9(3) no
N25 C25 C26 . 127.9(3) no
N25 C25 C24 . 113.4(3) no
C26 C25 C24 . 118.6(3) no
O25 N25 C25 . 120.1(2) no
N25 O25 Sr1 2_645 109.34(16) no
N26 C26 N21 . 119.5(3) no
N26 C26 C25 . 118.9(3) no
N21 C26 C25 . 121.6(3) no
C26 N26 H26A . 120.0 no
C26 N26 H26B . 120.0 no
H26A N26 H26B . 120.0 no
Sr1 O1 H11C . 114.3 no
Sr1 O1 H12D . 112.6 no
H11C O1 H12D . 115.1 no
Sr1 O2 H21C . 115.5 no
Sr1 O2 H22D . 133.9 no
H21C O2 H22D . 97.9 no
Sr1 O3 H31C . 129.8 no
Sr1 O3 H32D . 104.5 no
H31C O3 H32D . 106.9 no
Sr1 O4 H41C . 125.5 no
Sr1 O4 H42D . 115.2 no
H41C O4 H42D . 113.7 no
Sr1 O5 H51C . 118.6 no
Sr1 O5 H51D . 106.5 no
H51C O5 H51D . 107.8 no
H61C O6 H62D . 118.0 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Sr1 O121 . 2.501(2) y
Sr1 O1 . 2.566(2) y
Sr1 O2 . 2.582(2) y
Sr1 O5 . 2.604(2) y
N11 C12 . 1.331(4) no
C12 N13 . 1.379(4) no
N13 C14 . 1.394(3) no
C14 C15 . 1.458(4) no
C15 C16 . 1.446(4) no
C16 N11 . 1.346(4) no
C12 N12 . 1.325(4) no
C13 N13 . 1.470(4) no
C14 O14 . 1.220(4) no
C15 N15 . 1.343(4) no
N15 O15 . 1.284(3) y
C16 N16 . 1.314(4) y
Sr1 O221 . 2.608(2) y
Sr1 O4 . 2.617(2) y
Sr1 O3 . 2.710(2) y
Sr1 O25 2_655 2.751(2) y
N12 C121 . 1.460(4) no
N12 H12 . .8800 no
C121 C122 . 1.522(4) no
C121 H12A . .9900 no
C121 H12B . .9900 no
C122 O121 . 1.250(4) no
C122 O122 . 1.252(4) no
C13 H13A . .9800 no
C13 H13B . .9800 no
C13 H13C . .9800 no
N16 H16A . .8800 no
N16 H16B . .8800 no
N21 C22 . 1.325(4) no
C22 N23 . 1.390(4) no
N23 C24 . 1.387(4) no
C24 C25 . 1.453(4) no
C25 C26 . 1.445(4) no
C26 N21 . 1.341(4) no
C22 N22 . 1.330(4) no
C23 N23 . 1.469(4) no
C24 O24 . 1.232(3) no
C25 N25 . 1.334(4) no
N25 O25 . 1.282(3) y
C26 N26 . 1.310(4) y
N22 C221 . 1.454(3) no
N22 H22 . .8800 no
C221 C222 . 1.526(4) no
C221 H22A . .9900 no
C221 H22B . .9900 no
C222 O221 . 1.253(3) no
C222 O222 . 1.260(3) no
C23 H23A . .9800 no
C23 H23B . .9800 no
C23 H23C . .9800 no
N26 H26A . .8800 no
N26 H26B . .8800 no
O1 H11C . .8742 no
O1 H12D . .9498 no
O2 H21C . .9239 no
O2 H22D . .8795 no
O3 H31C . .8996 no
O3 H32D . .9842 no
O4 H41C . .9209 no
O4 H42D . .9082 no
O5 H51C . .9884 no
O5 H51D . .8868 no
O6 H61C . .9770 no
O6 H62D . 1.0008 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N16 H16A O14 4_555 .88 1.96 2.814(3) 164 y
N16 H16B O15 . .88 1.97 2.610(3) 129 y
N22 H22 O3 4_554 .88 2.07 2.900(3) 156 y
N26 H26A O24 4_545 .88 2.00 2.745(3) 141 y
N26 H26B O25 . .88 1.99 2.654(3) 131 y
O1 H11C O222 1_565 .87 1.85 2.692(3) 161 y
O1 H12D O122 4_554 .95 1.77 2.691(3) 163 y
O2 H21C O24 2_655 .93 2.54 3.431(3) 161 y
O2 H21C N25 2_655 .93 2.03 2.708(3) 129 y
O2 H22D O222 4_545 .88 1.94 2.740(3) 150 y
O3 H31C O221 1_565 .90 1.93 2.828(3) 175 y
O3 H32D O4 1_565 .98 2.27 3.007(3) 131 y
O4 H41C O15 3_556 .92 1.75 2.665(3) 173 y
O4 H42D O222 4_545 .91 2.12 3.027(3) 174 y
O5 H51C O6 . .99 1.87 2.813(3) 158 y
O5 H51D O122 4_554 .89 1.92 2.801(3) 173 y
O6 H61C O14 2_545 .98 2.60 3.168(3) 118 y
O6 H61C N15 2_545 .98 2.11 3.084(3) 173 y
O6 H62D O1 1_545 1.00 1.99 2.955(3) 161 y
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C16 N11 C12 N12 . . 179.6(3) no
C16 N11 C12 N13 . . .5(4) no
N11 C12 N12 C121 . . -3.5(4) y
N13 C12 N12 C121 . . 175.6(2) no
C12 N12 C121 C122 . . -166.9(2) y
N12 C121 C122 O121 . . 1.0(4) y
N12 C121 C122 O122 . . -179.0(2) no
O122 C122 O121 Sr1 . . 56.2(4) no
C121 C122 O121 Sr1 . . -123.8(3) y
O1 Sr1 O121 C122 . . -173.3(3) no
O2 Sr1 O121 C122 . . -28.8(3) no
O5 Sr1 O121 C122 . . 115.6(3) no
O221 Sr1 O121 C122 . . 95.4(3) no
O4 Sr1 O121 C122 . . 35.7(3) no
O3 Sr1 O121 C122 . . -103.9(3) no
O25 Sr1 O121 C122 2_655 . -102.9(3) no
N12 C12 N13 C14 . . 175.6(3) no
N11 C12 N13 C14 . . -5.4(4) no
N12 C12 N13 C13 . . -2.3(4) no
N11 C12 N13 C13 . . 176.8(3) no
C12 N13 C14 O14 . . -173.8(3) no
C13 N13 C14 O14 . . 4.2(4) no
C12 N13 C14 C15 . . 6.1(4) no
C13 N13 C14 C15 . . -176.0(2) no
O14 C14 C15 N15 . . -.4(4) no
N13 C14 C15 N15 . . 179.7(2) no
O14 C14 C15 C16 . . 177.1(3) no
N13 C14 C15 C16 . . -2.7(4) no
C16 C15 N15 O15 . . 3.2(4) no
C14 C15 N15 O15 . . -179.5(2) no
C12 N11 C16 N16 . . -177.4(3) no
C12 N11 C16 C15 . . 3.0(4) no
N15 C15 C16 N16 . . -4.2(5) no
C14 C15 C16 N16 . . 178.5(3) no
N15 C15 C16 N11 . . 175.4(3) no
C14 C15 C16 N11 . . -1.8(4) no
C26 N21 C22 N22 . . -174.3(2) no
C26 N21 C22 N23 . . 5.8(4) no
N21 C22 N22 C221 . . -.9(4) y
N23 C22 N22 C221 . . 179.1(2) no
C22 N22 C221 C222 . . -90.3(3) y
N22 C221 C222 O221 . . 168.3(2) y
N22 C221 C222 O222 . . -13.2(4) no
O222 C222 O221 Sr1 . . -152.5(2) no
C221 C222 O221 Sr1 . . 25.8(4) y
O121 Sr1 O221 C222 . . 106.8(3) no
O1 Sr1 O221 C222 . . 17.5(3) no
O2 Sr1 O221 C222 . . -128.9(3) no
O5 Sr1 O221 C222 . . 86.0(3) no
O4 Sr1 O221 C222 . . 164.5(3) no
O3 Sr1 O221 C222 . . -44.2(3) no
O25 Sr1 O221 C222 2_655 . -59.7(3) no
N21 C22 N23 C24 . . -.8(4) no
N22 C22 N23 C24 . . 179.3(2) no
N21 C22 N23 C23 . . 175.5(3) no
N22 C22 N23 C23 . . -4.4(4) no
C22 N23 C24 O24 . . 175.9(3) no
C23 N23 C24 O24 . . -.6(4) no
C22 N23 C24 C25 . . -4.2(4) no
C23 N23 C24 C25 . . 179.4(2) no
O24 C24 C25 N25 . . 2.6(4) no
N23 C24 C25 N25 . . -177.4(2) no
O24 C24 C25 C26 . . -175.8(3) no
N23 C24 C25 C26 . . 4.3(4) no
C26 C25 N25 O25 . . -1.8(4) no
C24 C25 N25 O25 . . -180.0(2) no
C25 N25 O25 Sr1 . 2_645 179.7(2) no
C22 N21 C26 N26 . . 175.8(3) no
C22 N21 C26 C25 . . -5.5(4) no
N25 C25 C26 N26 . . 1.2(5) no
C24 C25 C26 N26 . . 179.2(3) no
N25 C25 C26 N21 . . -177.6(3) no
C24 C25 C26 N21 . . .4(4) no
