#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:10:59 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180469 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/38/7213831.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_7213831
loop_
_publ_author_name
'Chen, Yanmei'
'She, Shixiong'
'Gao, Qian'
'Gao, Dandan'
'Wang, Derong'
'Li, Yahong'
'Liu, Wei'
'Li, Wu'
_publ_section_title
;
 Synthesis, structures and properties of the first series of SrII--MII (M
 = Cu, Co, Ni and Zn) coordination polymers based on
 pyridine-2,5-dicarboxylic acid
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1091
_journal_paper_doi               10.1039/c3ce41975d
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C14 H10 N2 Ni O10, H12 O6 Sr, 3H2 O'
_chemical_formula_sum            'C14 H28 N2 Ni O19 Sr'
_chemical_formula_weight         674.71
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.323(4)
_cell_length_b                   22.223(11)
_cell_length_c                   16.991(9)
_cell_measurement_reflns_used    4535
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.366
_cell_measurement_theta_min      2.992
_cell_volume                     2765(3)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX-II (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_unetI/netI     0.0202
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13675
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    2.691
_exptl_absorpt_correction_T_max  0.5765
_exptl_absorpt_correction_T_min  0.5302
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2005)'
_exptl_crystal_colour            light-blue
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1376
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.803
_refine_diff_density_min         -0.402
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     178
_refine_ls_number_reflns         2503
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.160
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0342
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0817P)²+2.8312P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1276
_refine_ls_wR_factor_ref         0.1323
_reflns_number_gt                2185
_reflns_number_total             2503
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41975d.txt
_cod_data_source_block           t
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               7213831
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, 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
Sr1 Sr -0.06009(7) 0.2500 0.18917(3) 0.0232(2) Uani 1 2 d S
N1 N -0.0243(4) 0.52053(15) 0.11551(18) 0.0259(7) Uani 1 1 d .
C1 C -0.0856(6) 0.57635(18) 0.1277(2) 0.0299(9) Uani 1 1 d .
O1 O -0.0877(4) 0.58583(13) -0.00976(16) 0.0360(7) Uani 1 1 d .
Ni2 Ni 0.0000 0.5000 0.0000 0.0264(2) Uani 1 2 d S
C2 C -0.1082(7) 0.5992(2) 0.2019(2) 0.0368(10) Uani 1 1 d .
H2 H -0.1500 0.6383 0.2092 0.044 Uiso 1 1 calc R
O2 O -0.1911(6) 0.66130(15) 0.05939(19) 0.0638(11) Uani 1 1 d .
O3 O -0.0014(5) 0.47844(18) 0.38626(17) 0.0494(9) Uani 1 1 d .
C3 C -0.0679(6) 0.56328(19) 0.2654(2) 0.0335(10) Uani 1 1 d .
H3 H -0.0838 0.5777 0.3163 0.040 Uiso 1 1 calc R
O4 O 0.1297(5) 0.41808(14) 0.30196(16) 0.0402(8) Uani 1 1 d .
C4 C -0.0041(5) 0.50598(17) 0.2532(2) 0.0253(8) Uani 1 1 d .
O5 O 0.2658(4) 0.53274(14) 0.00863(16) 0.0377(7) Uani 1 1 d .
H5A H 0.3388 0.5281 -0.0298 0.045 Uiso 1 1 d R
H5B H 0.3240 0.5214 0.0493 0.045 Uiso 1 1 d R
C5 C 0.0170(6) 0.48641(18) 0.1768(2) 0.0251(8) Uani 1 1 d .
H5 H 0.0619 0.4478 0.1680 0.030 Uiso 1 1 calc R
O6 O 0.2333(4) 0.31905(12) 0.21570(16) 0.0315(6) Uani 1 1 d .
H6A H 0.2776 0.3291 0.1714 0.038 Uiso 1 1 d R
H6B H 0.2028 0.3526 0.2357 0.038 Uiso 1 1 d R
C6 C -0.1248(6) 0.61106(19) 0.0542(2) 0.0353(10) Uani 1 1 d .
O7 O -0.1254(5) 0.34783(13) 0.11829(17) 0.0413(8) Uani 1 1 d .
H7A H -0.0621 0.3666 0.0843 0.050 Uiso 1 1 d R
H7B H -0.2037 0.3739 0.1323 0.050 Uiso 1 1 d R
C7 C 0.0451(6) 0.4643(2) 0.3188(2) 0.0303(9) Uani 1 1 d .
O8 O 0.1046(7) 0.2500 0.0548(2) 0.0414(11) Uani 1 2 d S
H8A H 0.1234 0.2802 0.0252 0.050 Uiso 1 1 d R
O9 O -0.4130(6) 0.2500 0.1550(2) 0.0349(10) Uani 1 2 d S
H9A H -0.4509 0.2794 0.1274 0.042 Uiso 1 1 d R
O10 O 0.4241(5) 0.34658(15) 0.08006(19) 0.0464(8) Uani 1 1 d .
H10A H 0.4306 0.3837 0.0916 0.056 Uiso 1 1 d R
H10B H 0.3652 0.3445 0.0370 0.056 Uiso 1 1 d R
O12 O -0.706(4) 0.7500 0.0973(18) 0.264(18) Uani 0.50 2 d SP
O11 O -0.335(5) 0.7500 0.1893(17) 0.227(14) Uiso 0.50 2 d SP
H11A H -0.2675 0.7628 0.1521 0.341 Uiso 0.25 1 d PR
H11B H -0.4406 0.7500 0.1688 0.341 Uiso 0.50 2 d SPR
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'
Ni Ni 0.3393 1.1124 '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
O7 Sr1 O7 118.41(15) 7_565 .
O7 Sr1 O8 70.58(8) 7_565 .
O7 Sr1 O8 70.58(8) . .
O7 Sr1 O9 73.23(9) 7_565 .
O7 Sr1 O9 73.23(9) . .
O8 Sr1 O9 105.18(14) . .
O7 Sr1 O6 136.37(10) 7_565 .
O7 Sr1 O6 74.89(10) . .
O8 Sr1 O6 76.94(11) . .
O9 Sr1 O6 145.03(6) . .
O7 Sr1 O6 74.89(10) 7_565 7_565
O7 Sr1 O6 136.37(10) . 7_565
O8 Sr1 O6 76.94(11) . 7_565
O9 Sr1 O6 145.03(6) . 7_565
O6 Sr1 O6 69.92(12) . 7_565
O7 Sr1 O6 131.97(10) 7_565 6_556
O7 Sr1 O6 71.95(9) . 6_556
O8 Sr1 O6 142.46(7) . 6_556
O9 Sr1 O6 65.38(10) . 6_556
O6 Sr1 O6 91.33(8) . 6_556
O6 Sr1 O6 132.53(5) 7_565 6_556
O7 Sr1 O6 71.95(9) 7_565 4_455
O7 Sr1 O6 131.97(10) . 4_455
O8 Sr1 O6 142.46(7) . 4_455
O9 Sr1 O6 65.38(10) . 4_455
O6 Sr1 O6 132.53(5) . 4_455
O6 Sr1 O6 91.33(8) 7_565 4_455
O6 Sr1 O6 69.45(12) 6_556 4_455
O7 Sr1 O9 120.79(8) 7_565 6_656
O7 Sr1 O9 120.79(8) . 6_656
O8 Sr1 O9 130.01(15) . 6_656
O9 Sr1 O9 124.81(12) . 6_656
O6 Sr1 O9 62.73(9) . 6_656
O6 Sr1 O9 62.73(9) 7_565 6_656
O6 Sr1 O9 69.88(9) 6_556 6_656
O6 Sr1 O9 69.88(9) 4_455 6_656
O7 Sr1 Sr1 113.48(8) 7_565 6_656
O7 Sr1 Sr1 113.48(8) . 6_656
O8 Sr1 Sr1 91.60(12) . 6_656
O9 Sr1 Sr1 163.22(9) . 6_656
O6 Sr1 Sr1 38.63(6) . 6_656
O6 Sr1 Sr1 38.63(6) 7_565 6_656
O6 Sr1 Sr1 101.20(7) 6_556 6_656
O6 Sr1 Sr1 101.20(7) 4_455 6_656
O9 Sr1 Sr1 38.41(8) 6_656 6_656
O7 Sr1 Sr1 93.98(7) 7_565 6_556
O7 Sr1 Sr1 93.98(7) . 6_556
O8 Sr1 Sr1 147.29(11) . 6_556
O9 Sr1 Sr1 42.11(10) . 6_556
O6 Sr1 Sr1 128.01(7) . 6_556
O6 Sr1 Sr1 128.01(7) 7_565 6_556
O6 Sr1 Sr1 38.36(6) 6_556 6_556
O6 Sr1 Sr1 38.36(6) 4_455 6_556
O9 Sr1 Sr1 82.70(9) 6_656 6_556
Sr1 Sr1 Sr1 121.11(4) 6_656 6_556
C5 N1 C1 119.2(3) . .
C5 N1 Ni2 127.9(3) . .
C1 N1 Ni2 112.9(3) . .
N1 C1 C2 121.9(4) . .
N1 C1 C6 114.5(4) . .
C2 C1 C6 123.6(4) . .
C6 O1 Ni2 114.9(2) . .
O1 Ni2 O1 0.00(16) 5_565 5_565
O1 Ni2 O1 180.00(15) 5_565 .
O1 Ni2 O1 180.00(15) 5_565 .
O1 Ni2 N1 80.72(12) 5_565 5_565
O1 Ni2 N1 80.72(12) 5_565 5_565
O1 Ni2 N1 99.28(12) . 5_565
O1 Ni2 N1 99.28(12) 5_565 .
O1 Ni2 N1 99.28(12) 5_565 .
O1 Ni2 N1 80.72(12) . .
N1 Ni2 N1 180.00(19) 5_565 .
O1 Ni2 O5 88.45(13) 5_565 5_565
O1 Ni2 O5 88.45(13) 5_565 5_565
O1 Ni2 O5 91.55(13) . 5_565
N1 Ni2 O5 86.27(12) 5_565 5_565
N1 Ni2 O5 93.73(12) . 5_565
O1 Ni2 O5 91.55(13) 5_565 .
O1 Ni2 O5 91.55(13) 5_565 .
O1 Ni2 O5 88.45(13) . .
N1 Ni2 O5 93.73(12) 5_565 .
N1 Ni2 O5 86.27(12) . .
O5 Ni2 O5 180.00(16) 5_565 .
C1 C2 C3 118.8(4) . .
C1 C2 H2 120.6 . .
C3 C2 H2 120.6 . .
C4 C3 C2 119.5(4) . .
C4 C3 H3 120.2 . .
C2 C3 H3 120.2 . .
C3 C4 C5 118.3(4) . .
C3 C4 C7 123.0(4) . .
C5 C4 C7 118.7(4) . .
Ni2 O5 H5A 119.4 . .
Ni2 O5 H5B 114.9 . .
H5A O5 H5B 105.8 . .
N1 C5 C4 122.3(4) . .
N1 C5 H5 118.8 . .
C4 C5 H5 118.8 . .
Sr1 O6 Sr1 103.01(10) . 6_656
Sr1 O6 H6A 107.9 . .
Sr1 O6 H6A 117.8 6_656 .
Sr1 O6 H6B 111.1 . .
Sr1 O6 H6B 114.1 6_656 .
H6A O6 H6B 103.0 . .
O2 C6 O1 124.0(4) . .
O2 C6 C1 119.2(4) . .
O1 C6 C1 116.9(4) . .
Sr1 O7 H7A 130.0 . .
Sr1 O7 H7B 125.5 . .
H7A O7 H7B 102.9 . .
O4 C7 O3 124.5(4) . .
O4 C7 C4 117.7(3) . .
O3 C7 C4 117.8(4) . .
Sr1 O8 H8A 126.8 . .
Sr1 O9 Sr1 99.48(13) . 6_556
Sr1 O9 H9A 116.1 . .
Sr1 O9 H9A 112.8 6_556 .
H10A O10 H10B 106.2 . .
H11A O11 H11B 103.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sr1 O7 2.531(3) 7_565
Sr1 O7 2.531(3) .
Sr1 O8 2.582(4) .
Sr1 O9 2.649(4) .
Sr1 O6 2.678(3) .
Sr1 O6 2.678(3) 7_565
Sr1 O6 2.694(3) 6_556
Sr1 O6 2.694(3) 4_455
Sr1 O9 2.858(5) 6_656
Sr1 Sr1 4.2047(18) 6_656
Sr1 Sr1 4.2047(18) 6_556
N1 C5 1.323(5) .
N1 C1 1.335(5) .
N1 Ni2 2.023(3) .
C1 C2 1.370(6) .
C1 C6 1.496(6) .
O1 C6 1.252(5) .
O1 Ni2 2.019(3) .
Ni2 O1 2.019(3) 5_565
Ni2 O1 2.019(3) 5_565
Ni2 N1 2.023(3) 5_565
Ni2 O5 2.083(3) 5_565
Ni2 O5 2.083(3) .
C2 C3 1.375(6) .
C2 H2 0.9300 .
O2 C6 1.221(5) .
O3 C7 1.236(5) .
C3 C4 1.372(6) .
C3 H3 0.9300 .
O4 C7 1.233(5) .
C4 C5 1.378(5) .
C4 C7 1.494(6) .
O5 H5A 0.8499 .
O5 H5B 0.8500 .
C5 H5 0.9300 .
O6 Sr1 2.694(3) 6_656
O6 H6A 0.8500 .
O6 H6B 0.8499 .
O7 H7A 0.8500 .
O7 H7B 0.8500 .
O8 H8A 0.8499 .
O9 Sr1 2.858(5) 6_556
O9 H9A 0.8500 .
O10 H10A 0.8500 .
O10 H10B 0.8500 .
O11 H11A 0.8500 .
O11 H11B 0.8499 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O5 H5A O3 0.85 1.86 2.713(4) 177.4 2_564
O5 H5B O3 0.85 1.94 2.748(4) 159.7 6_656
O6 H6A O10 0.85 1.93 2.764(5) 168.4 .
O6 H6B O4 0.85 1.92 2.751(4) 167.2 .
O7 H7A O1 0.85 1.98 2.830(4) 176.6 5_565
O7 H7B O4 0.85 1.92 2.737(4) 159.9 6_556
O8 H8A O2 0.85 2.00 2.838(5) 168.2 5_565
O9 H9A O10 0.85 1.93 2.766(4) 168.5 1_455
O10 H10A O3 0.85 2.20 3.035(5) 169.6 6_656
O10 H10A O4 0.85 2.44 2.968(5) 120.5 6_656
O10 H10B O2 0.85 2.08 2.925(5) 172.6 5_565
O10 H10B O1 0.85 2.60 3.123(5) 121.2 5_565
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_4
C5 N1 C1 C2 -0.5(6) . .
Ni2 N1 C1 C2 -178.8(4) . .
C5 N1 C1 C6 179.0(4) . .
Ni2 N1 C1 C6 0.7(4) . .
C6 O1 Ni2 O1 0(100) . 5_565
C6 O1 Ni2 O1 0(100) . 5_565
C6 O1 Ni2 N1 176.7(3) . 5_565
C6 O1 Ni2 N1 -3.3(3) . .
C6 O1 Ni2 O5 90.2(3) . 5_565
C6 O1 Ni2 O5 -89.8(3) . .
C5 N1 Ni2 O1 3.0(4) . 5_565
C1 N1 Ni2 O1 -178.8(3) . 5_565
C5 N1 Ni2 O1 3.0(4) . 5_565
C1 N1 Ni2 O1 -178.8(3) . 5_565
C5 N1 Ni2 O1 -177.0(4) . .
C1 N1 Ni2 O1 1.2(3) . .
C5 N1 Ni2 N1 -29.2(5) . 5_565
C1 N1 Ni2 N1 149.0(4) . 5_565
C5 N1 Ni2 O5 92.1(4) . 5_565
C1 N1 Ni2 O5 -89.7(3) . 5_565
C5 N1 Ni2 O5 -87.9(4) . .
C1 N1 Ni2 O5 90.3(3) . .
N1 C1 C2 C3 -0.6(7) . .
C6 C1 C2 C3 180.0(4) . .
C1 C2 C3 C4 0.9(7) . .
C2 C3 C4 C5 -0.1(6) . .
C2 C3 C4 C7 179.2(4) . .
C1 N1 C5 C4 1.2(6) . .
Ni2 N1 C5 C4 179.3(3) . .
C3 C4 C5 N1 -0.9(6) . .
C7 C4 C5 N1 179.7(4) . .
O7 Sr1 O6 Sr1 -67.19(16) 7_565 6_656
O7 Sr1 O6 Sr1 177.28(12) . 6_656
O8 Sr1 O6 Sr1 -109.64(11) . 6_656
O9 Sr1 O6 Sr1 152.45(17) . 6_656
O6 Sr1 O6 Sr1 -28.97(12) 7_565 6_656
O6 Sr1 O6 Sr1 106.39(14) 6_556 6_656
O6 Sr1 O6 Sr1 43.47(13) 4_455 6_656
O9 Sr1 O6 Sr1 39.91(8) 6_656 6_656
Sr1 Sr1 O6 Sr1 94.15(10) 6_556 6_656
Ni2 O1 C6 O2 -174.9(4) . .
Ni2 O1 C6 C1 4.6(5) . .
N1 C1 C6 O2 175.9(4) . .
C2 C1 C6 O2 -4.6(7) . .
N1 C1 C6 O1 -3.6(6) . .
C2 C1 C6 O1 175.9(4) . .
C3 C4 C7 O4 -167.8(4) . .
C5 C4 C7 O4 11.5(6) . .
C3 C4 C7 O3 12.0(6) . .
C5 C4 C7 O3 -168.7(4) . .
O7 Sr1 O9 Sr1 116.21(8) 7_565 6_556
O7 Sr1 O9 Sr1 -116.21(8) . 6_556
O8 Sr1 O9 Sr1 180.0 . 6_556
O6 Sr1 O9 Sr1 -91.17(17) . 6_556
O6 Sr1 O9 Sr1 91.17(17) 7_565 6_556
O6 Sr1 O9 Sr1 -38.80(7) 6_556 6_556
O6 Sr1 O9 Sr1 38.80(7) 4_455 6_556
O9 Sr1 O9 Sr1 0.0 6_656 6_556
Sr1 Sr1 O9 Sr1 0.0 6_656 6_556
