# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2004


data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Prof Qing-Jin Meng'
_publ_contact_author_address     
;
Coordination Chemistry Institute
State Key Laboratory of Coordination Chemistry
Nanjing University
Nanjing
210093
China
;
_publ_contact_author_email       wlliu@yzu.edu.cn

_publ_section_title              
;
Self-assembly of a 1D heterotrimetallic Cu(II)-Sr(II)-Na(I)
propeller-like chiral coordination polymer with
ferromagnetic interactions
;
loop_
_publ_author_name
'Wen-Long Liu'
'You Song'
'Yizhi Li'
'Yang Zou'
'Dongbin Dang'
;
Chunlin Ni
;
'Qing-Jin Meng'

data_1
_database_code_depnum_ccdc_archive 'CCDC 237515'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C54 H54 Br3 Cu3 N6 Na O21 Sr, 6(H2 O)'
_chemical_formula_sum            'C54 H66 Br3 Cu3 N6 Na O27 Sr'
_chemical_formula_weight         1772.09
_chemical_absolute_configuration rmad

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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Trigonal
_symmetry_space_group_name_H-M   'R 3 '
_symmetry_space_group_name_Hall  'R 3'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   27.673(3)
_cell_length_b                   27.673(3)
_cell_length_c                   7.4580(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     4946.1(10)
_cell_formula_units_Z            3
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1912
_cell_measurement_theta_min      2.55
_cell_measurement_theta_max      21.77

_exptl_crystal_description       needle
_exptl_crystal_colour            violet
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.785
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2667
_exptl_absorpt_coefficient_mu    3.670
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.522
_exptl_absorpt_correction_T_max  0.693
_exptl_absorpt_process_details   'SADABS, Bruker(2000)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker Smart Apex CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8242
_diffrn_reflns_av_R_equivalents  0.0675
_diffrn_reflns_av_sigmaI/netI    0.0956
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_theta_min         2.55
_diffrn_reflns_theta_max         24.99
_reflns_number_total             3780
_reflns_number_gt                2975
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement.  R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0328P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.023(12)
_refine_ls_number_reflns         3780
_refine_ls_number_parameters     287
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0493
_refine_ls_wR_factor_ref         0.1040
_refine_ls_wR_factor_gt          0.1005
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Cu1 Cu 0.84733(4) 0.43428(4) 0.79778(12) 0.0343(2) Uani 1 1 d . . .
Sr1 Sr 0.6667 0.3333 0.72510(16) 0.0309(3) Uani 1 3 d S . .
Na1 Na 0.6667 0.3333 0.2256(7) 0.0330(11) Uani 1 3 d S . .
Br1 Br 0.95638(5) 0.60689(4) 1.60809(12) 0.0642(3) Uani 1 1 d . . .
C1 C 0.8550(3) 0.4935(3) 1.1186(12) 0.040(2) Uani 1 1 d . . .
C2 C 0.8293(4) 0.5069(4) 1.2617(13) 0.060(3) Uani 1 1 d . . .
H2 H 0.7910 0.4926 1.2600 0.073 Uiso 1 1 calc R . .
C3 C 0.8598(4) 0.5400(4) 1.4007(13) 0.063(3) Uani 1 1 d . . .
H3 H 0.8419 0.5474 1.4931 0.075 Uiso 1 1 calc R . .
C4 C 0.9161(4) 0.5625(3) 1.4065(12) 0.049(2) Uani 1 1 d . . .
C5 C 0.9431(4) 0.5512(3) 1.2762(11) 0.041(2) Uani 1 1 d . . .
H5 H 0.9814 0.5657 1.2832 0.049 Uiso 1 1 calc R . .
C6 C 0.9124(3) 0.5172(3) 1.1283(11) 0.039(2) Uani 1 1 d . . .
C7 C 0.9452(3) 0.5086(3) 0.9934(12) 0.040(2) Uani 1 1 d . . .
H7 H 0.9837 0.5274 1.0080 0.048 Uiso 1 1 calc R . .
C8 C 0.9603(3) 0.4710(4) 0.7240(11) 0.047(2) Uani 1 1 d . . .
H8A H 0.9877 0.5074 0.6785 0.057 Uiso 1 1 calc R . .
H8B H 0.9803 0.4546 0.7805 0.057 Uiso 1 1 calc R . .
C9 C 0.9275(3) 0.4355(3) 0.5726(11) 0.037(2) Uani 1 1 d . . .
C10 C 0.8314(3) 0.3787(3) 0.4597(10) 0.0338(19) Uani 1 1 d . . .
H10 H 0.8400 0.3995 0.3468 0.041 Uiso 1 1 calc R . .
C11 C 0.7758(3) 0.3692(4) 0.5260(11) 0.036(2) Uani 1 1 d . . .
C12 C 0.8278(4) 0.3224(3) 0.4214(11) 0.042(2) Uani 1 1 d . . .
H12A H 0.7960 0.3008 0.3437 0.051 Uiso 1 1 calc R . .
H12B H 0.8610 0.3293 0.3564 0.051 Uiso 1 1 calc R . .
C13 C 0.8221(3) 0.2880(3) 0.5841(11) 0.038(2) Uani 1 1 d . . .
C14 C 0.8683(4) 0.2882(4) 0.6574(12) 0.047(2) Uani 1 1 d . . .
H14 H 0.9031 0.3104 0.6051 0.056 Uiso 1 1 calc R . .
C15 C 0.8641(4) 0.2566(4) 0.8046(13) 0.057(3) Uani 1 1 d . . .
H15 H 0.8961 0.2587 0.8522 0.068 Uiso 1 1 calc R . .
C16 C 0.8135(4) 0.2222(4) 0.8823(13) 0.047(2) Uani 1 1 d . . .
C17 C 0.7656(4) 0.2199(4) 0.8117(12) 0.045(2) Uani 1 1 d . . .
H17 H 0.7308 0.1967 0.8631 0.054 Uiso 1 1 calc R . .
C18 C 0.7703(3) 0.2524(3) 0.6656(11) 0.042(2) Uani 1 1 d . . .
H18 H 0.7383 0.2507 0.6191 0.051 Uiso 1 1 calc R . .
N1 N 0.9256(2) 0.4781(3) 0.8601(9) 0.0367(16) Uani 1 1 d . . .
N2 N 0.8735(3) 0.4131(2) 0.5897(7) 0.0301(15) Uani 1 1 d . . .
O1 O 0.8226(2) 0.4612(2) 0.9902(7) 0.0423(14) Uani 1 1 d . . .
O2 O 0.9524(2) 0.4286(2) 0.4416(8) 0.0464(14) Uani 1 1 d . . .
O3 O 0.7749(2) 0.3922(2) 0.6746(7) 0.0400(14) Uani 1 1 d . . .
O4 O 0.7332(2) 0.3396(3) 0.4394(8) 0.0491(15) Uani 1 1 d . . .
O5 O 0.8087(3) 0.1906(3) 1.0262(9) 0.069(2) Uani 1 1 d . . .
H5A H 0.8228 0.1714 1.0038 0.104 Uiso 1 1 calc R . .
O6 O 0.7071(2) 0.4063(2) 0.9896(7) 0.0387(13) Uani 1 1 d . . .
H6A H 0.7290 0.4393 0.9529 0.046 Uiso 1 1 d R . .
H6B H 0.7242 0.3919 1.0417 0.046 Uiso 1 1 d R . .
O7 O 0.0063(2) 0.3648(3) 0.4833(9) 0.0623(18) Uani 1 1 d . . .
H7A H 0.0361 0.3634 0.4718 0.075 Uiso 1 1 d R . .
H7B H 0.0133 0.3941 0.5406 0.075 Uiso 1 1 d R . .
O8 O 0.9222(3) 0.3808(3) 0.0970(9) 0.073(2) Uani 1 1 d . . .
H8D H 0.9313 0.3952 0.2009 0.088 Uiso 1 1 d R . .
H8C H 0.9091 0.3977 0.0366 0.088 Uiso 1 1 d R . .
O9 O 0.8189(2) 0.3470(2) 0.9728(8) 0.0548(16) Uani 1 1 d . . .
H9C H 0.8333 0.3644 0.8756 0.066 Uiso 1 1 d R . .
H9B H 0.7861 0.3420 0.9836 0.066 Uiso 1 1 d R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Cu1 0.0280(5) 0.0395(6) 0.0366(5) -0.0051(5) 0.0019(5) 0.0176(5)
Sr1 0.0307(4) 0.0307(4) 0.0312(7) 0.000 0.000 0.0154(2)
Na1 0.0362(16) 0.0362(16) 0.027(3) 0.000 0.000 0.0181(8)
Br1 0.0798(8) 0.0637(7) 0.0406(6) -0.0122(5) -0.0131(5) 0.0294(6)
C1 0.043(5) 0.033(5) 0.044(6) -0.004(4) -0.001(4) 0.018(4)
C2 0.033(5) 0.079(7) 0.059(6) -0.023(6) 0.004(5) 0.020(5)
C3 0.052(7) 0.075(7) 0.054(6) -0.019(6) 0.010(5) 0.027(6)
C4 0.053(6) 0.036(5) 0.039(5) -0.010(4) -0.006(4) 0.009(5)
C5 0.044(5) 0.039(5) 0.038(5) -0.002(4) -0.003(4) 0.019(4)
C6 0.041(5) 0.032(5) 0.039(5) 0.005(4) 0.006(4) 0.015(4)
C7 0.032(5) 0.035(5) 0.050(6) -0.003(4) -0.003(4) 0.014(4)
C8 0.028(5) 0.060(6) 0.050(6) -0.006(5) 0.003(4) 0.019(4)
C9 0.030(5) 0.037(5) 0.045(6) 0.003(4) 0.007(4) 0.017(4)
C10 0.038(5) 0.040(5) 0.029(5) 0.011(4) 0.005(4) 0.024(4)
C11 0.042(5) 0.048(5) 0.031(5) 0.011(4) 0.004(4) 0.031(5)
C12 0.041(5) 0.045(5) 0.044(5) -0.001(4) 0.003(4) 0.024(4)
C13 0.042(5) 0.037(5) 0.040(5) 0.000(4) -0.004(4) 0.023(4)
C14 0.041(5) 0.046(6) 0.053(6) 0.007(4) 0.007(4) 0.023(5)
C15 0.043(6) 0.057(6) 0.077(7) 0.016(5) -0.007(5) 0.030(5)
C16 0.046(6) 0.044(5) 0.057(6) 0.006(5) 0.001(5) 0.027(5)
C17 0.041(5) 0.045(6) 0.049(6) 0.010(4) 0.006(4) 0.023(5)
C18 0.030(5) 0.036(5) 0.061(6) -0.009(4) -0.011(4) 0.017(4)
N1 0.025(4) 0.042(4) 0.043(4) -0.010(3) -0.005(3) 0.017(3)
N2 0.033(4) 0.035(4) 0.026(4) -0.001(3) 0.004(3) 0.020(3)
O1 0.031(3) 0.049(3) 0.045(3) -0.015(3) 0.005(3) 0.018(3)
O2 0.038(3) 0.055(4) 0.044(4) -0.005(3) 0.009(3) 0.022(3)
O3 0.031(3) 0.050(4) 0.040(4) -0.009(3) -0.002(2) 0.021(3)
O4 0.041(4) 0.059(4) 0.049(4) -0.008(3) -0.010(3) 0.026(3)
O5 0.065(5) 0.075(5) 0.081(5) 0.036(4) 0.019(4) 0.045(4)
O6 0.039(3) 0.030(3) 0.045(3) 0.003(3) 0.002(3) 0.016(3)
O7 0.059(4) 0.075(5) 0.060(4) 0.005(4) 0.006(3) 0.038(4)
O8 0.068(5) 0.084(5) 0.061(5) -0.004(4) -0.012(4) 0.033(4)
O9 0.056(4) 0.062(4) 0.050(4) -0.005(3) -0.001(3) 0.032(4)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix.  The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry.  An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Cu1 O1 1.895(5) . ?
Cu1 N2 1.924(6) . ?
Cu1 N1 1.937(6) . ?
Cu1 O3 1.971(5) . ?
Cu1 H9C 1.8656 . ?
Sr1 O3 2.623(5) 3_665 ?
Sr1 O3 2.623(5) . ?
Sr1 O3 2.623(5) 2_655 ?
Sr1 O6 2.638(5) 3_665 ?
Sr1 O6 2.638(5) . ?
Sr1 O6 2.638(5) 2_655 ?
Sr1 O4 2.764(6) . ?
Sr1 O4 2.764(6) 3_665 ?
Sr1 O4 2.764(6) 2_655 ?
Sr1 C11 3.053(8) . ?
Sr1 C11 3.053(8) 3_665 ?
Sr1 C11 3.053(8) 2_655 ?
Sr1 H6B 2.8564 . ?
Na1 O4 2.376(6) . ?
Na1 O4 2.376(6) 3_665 ?
Na1 O4 2.376(6) 2_655 ?
Na1 O6 2.483(6) 3_664 ?
Na1 O6 2.483(6) 2_654 ?
Na1 O6 2.483(6) 1_554 ?
Na1 Sr1 3.733(5) 1_554 ?
Br1 C4 1.909(8) . ?
C1 O1 1.310(9) . ?
C1 C6 1.385(11) . ?
C1 C2 1.429(12) . ?
C2 C3 1.362(12) . ?
C2 H2 0.9300 . ?
C3 C4 1.357(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.354(11) . ?
C5 C6 1.422(11) . ?
C5 H5 0.9300 . ?
C6 C7 1.450(11) . ?
C7 N1 1.240(10) . ?
C7 H7 0.9300 . ?
C8 C9 1.473(11) . ?
C8 N1 1.475(9) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 O2 1.263(9) . ?
C9 N2 1.307(9) . ?
C10 N2 1.447(9) . ?
C10 C11 1.509(11) . ?
C10 C12 1.536(11) . ?
C10 H10 0.9800 . ?
C11 O4 1.229(9) . ?
C11 O3 1.286(9) . ?
C12 C13 1.501(11) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.388(11) . ?
C13 C18 1.409(11) . ?
C14 C15 1.371(11) . ?
C14 H14 0.9300 . ?
C15 C16 1.367(12) . ?
C15 H15 0.9300 . ?
C16 O5 1.348(10) . ?
C16 C17 1.400(12) . ?
C17 C18 1.376(11) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
O5 H5A 0.8200 . ?
O6 Na1 2.483(6) 1_556 ?
O6 H6A 0.8500 . ?
O6 H6B 0.8500 . ?
O7 H7A 0.8498 . ?
O7 H7B 0.8499 . ?
O8 H8D 0.8501 . ?
O8 H8C 0.8500 . ?
O9 H9C 0.8500 . ?
O9 H9B 0.8499 . ?

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 Cu1 N2 174.5(3) . . ?
O1 Cu1 N1 94.7(3) . . ?
N2 Cu1 N1 84.9(3) . . ?
O1 Cu1 O3 97.2(2) . . ?
N2 Cu1 O3 82.6(2) . . ?
N1 Cu1 O3 166.0(3) . . ?
O1 Cu1 H9C 104.1 . . ?
N2 Cu1 H9C 81.4 . . ?
N1 Cu1 H9C 99.4 . . ?
O3 Cu1 H9C 84.8 . . ?
O3 Sr1 O3 117.98(6) 3_665 . ?
O3 Sr1 O3 117.98(6) 3_665 2_655 ?
O3 Sr1 O3 117.98(6) . 2_655 ?
O3 Sr1 O6 73.52(16) 3_665 3_665 ?
O3 Sr1 O6 81.10(16) . 3_665 ?
O3 Sr1 O6 139.48(17) 2_655 3_665 ?
O3 Sr1 O6 139.48(17) 3_665 . ?
O3 Sr1 O6 73.52(16) . . ?
O3 Sr1 O6 81.10(16) 2_655 . ?
O6 Sr1 O6 70.20(18) 3_665 . ?
O3 Sr1 O6 81.10(16) 3_665 2_655 ?
O3 Sr1 O6 139.48(17) . 2_655 ?
O3 Sr1 O6 73.52(16) 2_655 2_655 ?
O6 Sr1 O6 70.20(18) 3_665 2_655 ?
O6 Sr1 O6 70.20(18) . 2_655 ?
O3 Sr1 O4 84.91(17) 3_665 . ?
O3 Sr1 O4 48.14(17) . . ?
O3 Sr1 O4 115.11(17) 2_655 . ?
O6 Sr1 O4 104.18(16) 3_665 . ?
O6 Sr1 O4 120.92(17) . . ?
O6 Sr1 O4 165.90(16) 2_655 . ?
O3 Sr1 O4 48.14(17) 3_665 3_665 ?
O3 Sr1 O4 115.11(17) . 3_665 ?
O3 Sr1 O4 84.91(17) 2_655 3_665 ?
O6 Sr1 O4 120.92(17) 3_665 3_665 ?
O6 Sr1 O4 165.90(16) . 3_665 ?
O6 Sr1 O4 104.18(16) 2_655 3_665 ?
O4 Sr1 O4 66.99(19) . 3_665 ?
O3 Sr1 O4 115.11(17) 3_665 2_655 ?
O3 Sr1 O4 84.91(17) . 2_655 ?
O3 Sr1 O4 48.14(17) 2_655 2_655 ?
O6 Sr1 O4 165.90(17) 3_665 2_655 ?
O6 Sr1 O4 104.18(16) . 2_655 ?
O6 Sr1 O4 120.92(17) 2_655 2_655 ?
O4 Sr1 O4 66.99(19) . 2_655 ?
O4 Sr1 O4 66.99(19) 3_665 2_655 ?
O3 Sr1 C11 99.6(2) 3_665 . ?
O3 Sr1 C11 24.74(19) . . ?
O3 Sr1 C11 122.17(19) 2_655 . ?
O6 Sr1 C11 90.55(18) 3_665 . ?
O6 Sr1 C11 98.2(2) . . ?
O6 Sr1 C11 159.84(19) 2_655 . ?
O4 Sr1 C11 23.73(18) . . ?
O4 Sr1 C11 90.6(2) 3_665 . ?
O4 Sr1 C11 77.3(2) 2_655 . ?
O3 Sr1 C11 24.74(19) 3_665 3_665 ?
O3 Sr1 C11 122.17(19) . 3_665 ?
O3 Sr1 C11 99.6(2) 2_655 3_665 ?
O6 Sr1 C11 98.2(2) 3_665 3_665 ?
O6 Sr1 C11 159.84(19) . 3_665 ?
O6 Sr1 C11 90.55(18) 2_655 3_665 ?
O4 Sr1 C11 77.3(2) . 3_665 ?
O4 Sr1 C11 23.73(18) 3_665 3_665 ?
O4 Sr1 C11 90.6(2) 2_655 3_665 ?
C11 Sr1 C11 98.3(2) . 3_665 ?
O3 Sr1 C11 122.17(19) 3_665 2_655 ?
O3 Sr1 C11 99.6(2) . 2_655 ?
O3 Sr1 C11 24.74(19) 2_655 2_655 ?
O6 Sr1 C11 159.84(19) 3_665 2_655 ?
O6 Sr1 C11 90.55(18) . 2_655 ?
O6 Sr1 C11 98.2(2) 2_655 2_655 ?
O4 Sr1 C11 90.6(2) . 2_655 ?
O4 Sr1 C11 77.3(2) 3_665 2_655 ?
O4 Sr1 C11 23.73(18) 2_655 2_655 ?
C11 Sr1 C11 98.3(2) . 2_655 ?
C11 Sr1 C11 98.3(2) 3_665 2_655 ?
O3 Sr1 H6B 126.2 3_665 . ?
O3 Sr1 H6B 68.1 . . ?
O3 Sr1 H6B 98.0 2_655 . ?
O6 Sr1 H6B 53.9 3_665 . ?
O6 Sr1 H6B 17.2 . . ?
O6 Sr1 H6B 71.9 2_655 . ?
O4 Sr1 H6B 115.9 . . ?
O4 Sr1 H6B 174.1 3_665 . ?
O4 Sr1 H6B 118.7 2_655 . ?
C11 Sr1 H6B 92.1 . . ?
C11 Sr1 H6B 150.5 3_665 . ?
C11 Sr1 H6B 107.4 2_655 . ?
O4 Na1 O4 79.9(3) . 3_665 ?
O4 Na1 O4 79.9(3) . 2_655 ?
O4 Na1 O4 79.9(3) 3_665 2_655 ?
O4 Na1 O6 93.81(18) . 3_664 ?
O4 Na1 O6 113.50(19) 3_665 3_664 ?
O4 Na1 O6 164.20(19) 2_655 3_664 ?
O4 Na1 O6 164.20(19) . 2_654 ?
O4 Na1 O6 93.81(18) 3_665 2_654 ?
O4 Na1 O6 113.50(19) 2_655 2_654 ?
O6 Na1 O6 75.3(2) 3_664 2_654 ?
O4 Na1 O6 113.50(19) . 1_554 ?
O4 Na1 O6 164.20(19) 3_665 1_554 ?
O4 Na1 O6 93.81(18) 2_655 1_554 ?
O6 Na1 O6 75.3(2) 3_664 1_554 ?
O6 Na1 O6 75.3(2) 2_654 1_554 ?
O4 Na1 Sr1 47.84(17) . . ?
O4 Na1 Sr1 47.84(17) 3_665 . ?
O4 Na1 Sr1 47.84(17) 2_655 . ?
O6 Na1 Sr1 135.14(14) 3_664 . ?
O6 Na1 Sr1 135.14(14) 2_654 . ?
O6 Na1 Sr1 135.14(14) 1_554 . ?
O4 Na1 Sr1 132.16(17) . 1_554 ?
O4 Na1 Sr1 132.16(17) 3_665 1_554 ?
O4 Na1 Sr1 132.16(17) 2_655 1_554 ?
O6 Na1 Sr1 44.86(14) 3_664 1_554 ?
O6 Na1 Sr1 44.86(14) 2_654 1_554 ?
O6 Na1 Sr1 44.86(14) 1_554 1_554 ?
Sr1 Na1 Sr1 180.0 . 1_554 ?
O1 C1 C6 126.3(7) . . ?
O1 C1 C2 117.6(7) . . ?
C6 C1 C2 116.1(8) . . ?
C3 C2 C1 121.5(9) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
C4 C3 C2 121.0(9) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C5 C4 C3 120.7(8) . . ?
C5 C4 Br1 120.1(7) . . ?
C3 C4 Br1 119.1(7) . . ?
C4 C5 C6 119.6(8) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 121.1(8) . . ?
C1 C6 C7 123.3(7) . . ?
C5 C6 C7 115.6(8) . . ?
N1 C7 C6 124.9(8) . . ?
N1 C7 H7 117.5 . . ?
C6 C7 H7 117.5 . . ?
C9 C8 N1 113.1(6) . . ?
C9 C8 H8A 109.0 . . ?
N1 C8 H8A 109.0 . . ?
C9 C8 H8B 109.0 . . ?
N1 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
O2 C9 N2 125.8(8) . . ?
O2 C9 C8 119.6(7) . . ?
N2 C9 C8 114.6(7) . . ?
N2 C10 C11 108.1(6) . . ?
N2 C10 C12 114.6(6) . . ?
C11 C10 C12 109.8(7) . . ?
N2 C10 H10 108.1 . . ?
C11 C10 H10 108.1 . . ?
C12 C10 H10 108.1 . . ?
O4 C11 O3 122.1(8) . . ?
O4 C11 C10 120.0(8) . . ?
O3 C11 C10 117.9(7) . . ?
O4 C11 Sr1 64.9(5) . . ?
O3 C11 Sr1 58.6(4) . . ?
C10 C11 Sr1 166.8(5) . . ?
C13 C12 C10 115.2(7) . . ?
C13 C12 H12A 108.5 . . ?
C10 C12 H12A 108.5 . . ?
C13 C12 H12B 108.5 . . ?
C10 C12 H12B 108.5 . . ?
H12A C12 H12B 107.5 . . ?
C14 C13 C18 116.5(7) . . ?
C14 C13 C12 120.8(8) . . ?
C18 C13 C12 122.6(7) . . ?
C15 C14 C13 121.9(8) . . ?
C15 C14 H14 119.1 . . ?
C13 C14 H14 119.1 . . ?
C16 C15 C14 120.9(8) . . ?
C16 C15 H15 119.5 . . ?
C14 C15 H15 119.5 . . ?
O5 C16 C15 121.7(8) . . ?
O5 C16 C17 119.0(8) . . ?
C15 C16 C17 119.3(8) . . ?
C18 C17 C16 119.3(8) . . ?
C18 C17 H17 120.4 . . ?
C16 C17 H17 120.4 . . ?
C17 C18 C13 122.0(8) . . ?
C17 C18 H18 119.0 . . ?
C13 C18 H18 119.0 . . ?
C7 N1 C8 123.4(7) . . ?
C7 N1 Cu1 126.1(6) . . ?
C8 N1 Cu1 110.5(5) . . ?
C9 N2 C10 126.8(6) . . ?
C9 N2 Cu1 116.8(5) . . ?
C10 N2 Cu1 116.0(5) . . ?
C1 O1 Cu1 124.3(5) . . ?
C11 O3 Cu1 115.3(5) . . ?
C11 O3 Sr1 96.7(5) . . ?
Cu1 O3 Sr1 143.9(3) . . ?
C11 O4 Na1 148.4(6) . . ?
C11 O4 Sr1 91.4(5) . . ?
Na1 O4 Sr1 92.6(2) . . ?
C16 O5 H5A 109.5 . . ?
Na1 O6 Sr1 93.54(18) 1_556 . ?
Na1 O6 H6A 153.0 1_556 . ?
Sr1 O6 H6A 112.5 . . ?
Na1 O6 H6B 55.0 1_556 . ?
Sr1 O6 H6B 96.1 . . ?
H6A O6 H6B 112.5 . . ?
H7A O7 H7B 109.5 . . ?
H8D O8 H8C 109.5 . . ?
H9C O9 H9B 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.671
_refine_diff_density_min         -0.376
_refine_diff_density_rms         0.097