# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2005 

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Prof Albert Escuer'
_publ_contact_author_address     
;
Quimica Inorganica
Universitat de Barcelona
Marti Franques 1-11
Barcelona
08028
SPAIN
;

_publ_contact_author_email       ALBERT.ESCUER@QI.UB.ES

_publ_section_title              
;
A two-dimensional azido-based topologic ferrimagnet
;
loop_
_publ_author_name
'Albert Escuer'
'Morsy A.M. Abu-Youssef'
'Mohamed A. S. Goher'
'Franz A. Mautner'
'Ramon Vicente'

data_mamaza
_database_code_depnum_ccdc_archive 'CCDC 239517'

_audit_creation_method           SHELXL
_chemical_name_systematic        
;
?
;
_chemical_name_common            (Mn(4-azidopyridine)2(N3)2)n
_chemical_formula_moiety         'C15 H12 Mn1.50 N21'
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_sum            'C15 H12 Mn1.5 N21'
_chemical_formula_weight         568.865
_chemical_melting_point          ?
_chemical_compound_source        ?

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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.341(2)
_cell_length_b                   11.540(2)
_cell_length_c                   11.685(2)
_cell_angle_alpha                90.63(3)
_cell_angle_beta                 91.84(3)
_cell_angle_gamma                98.94(3)
_cell_volume                     1110.4(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       irregular
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             286.5
_exptl_absorpt_coefficient_mu    0.922
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8005
_diffrn_reflns_av_R_equivalents  0.0610
_diffrn_reflns_av_sigmaI/netI    0.0963
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.74
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3858
_reflns_number_gt                2817
_reflns_treshold_expression      >2sigma(I)

_computing_data_collection       'Bruker SMART (1998)'
_computing_cell_refinement       'Bruker SAINT (1998)'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_molecular_graphics    'SHELXTL/PC v.5.03 (Siemens Ind. Aut.)'
_computing_publication_material  'SHELXTL/PC v.5.03 (Siemens Ind. Aut.)'

_refine_special_details          
;
Refinement on F^2^ for ALL reflections except for 2 with very negative F^2^
or flagged by the user for potential systematic errors.  Weighted R-factors
wR and all goodnesses 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 observed criterion
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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^)+(0.1240P)^2^+0.4195P] 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    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3856
_refine_ls_number_parameters     340
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1056
_refine_ls_R_factor_gt           0.0761
_refine_ls_wR_factor_all         0.2137
_refine_ls_wR_factor_ref         0.1900
_refine_ls_goodness_of_fit_all   1.036
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.037
_refine_ls_restrained_S_ref      1.089
_refine_ls_shift/su_max          0.000
_refine_ls_shift/esd_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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mn1 Mn 0.50585(10) 0.51884(8) 0.85567(7) 0.0224(3) Uani 1 d . .
Mn2 Mn 0.0000 0.5000 0.5000 0.0207(4) Uani 1 d S .
N11 N 0.6151(6) 0.4196(5) 0.9927(4) 0.0261(12) Uani 1 d . .
N12 N 0.6440(6) 0.3254(5) 0.9752(4) 0.0255(12) Uani 1 d . .
N13 N 0.6740(7) 0.2323(6) 0.9582(5) 0.0373(14) Uani 1 d . .
N21 N 0.3747(6) 0.6275(5) 0.7434(4) 0.0306(13) Uani 1 d . .
N22 N 0.2458(6) 0.5979(4) 0.7014(4) 0.0237(11) Uani 1 d . .
N23 N 0.1140(6) 0.5710(5) 0.6617(4) 0.0288(12) Uani 1 d . .
N31 N 0.6381(7) 0.4355(5) 0.7279(5) 0.0359(14) Uani 1 d . .
N32 N 0.7244(6) 0.4115(4) 0.6576(4) 0.0216(11) Uani 1 d . .
N33 N 0.8080(6) 0.3847(4) 0.5874(4) 0.0258(12) Uani 1 d . .
N1 N 0.2969(6) 0.3681(5) 0.8280(4) 0.0252(12) Uani 1 d . .
C1 C 0.1451(7) 0.3816(6) 0.8477(5) 0.0255(14) Uani 1 d . .
H1 H 0.1277 0.4477 0.8888 0.031 Uiso 1 calc R .
C2 C 0.0112(7) 0.3022(5) 0.8104(5) 0.0239(14) Uani 1 d . .
H2 H -0.0933 0.3147 0.8265 0.029 Uiso 1 calc R .
C3 C 0.0355(8) 0.2067(5) 0.7503(5) 0.0261(14) Uani 1 d . .
C4 C 0.1924(8) 0.1866(5) 0.7335(5) 0.0254(14) Uani 1 d . .
H4 H 0.2121 0.1185 0.6970 0.031 Uiso 1 calc R .
C5 C 0.3186(8) 0.2709(6) 0.7727(5) 0.0270(14) Uani 1 d . .
H5 H 0.4243 0.2590 0.7597 0.032 Uiso 1 calc R .
N41 N -0.0907(7) 0.1190(5) 0.7018(4) 0.0305(13) Uani 1 d . .
N42 N -0.2230(7) 0.1390(4) 0.7068(4) 0.0260(12) Uani 1 d . .
N43 N -0.3611(7) 0.1449(5) 0.7006(5) 0.0369(14) Uani 1 d . .
N2 N 0.7103(6) 0.6697(5) 0.8623(4) 0.0257(12) Uani 1 d . .
C6 C 0.6853(8) 0.7800(6) 0.8772(5) 0.0277(14) Uani 1 d . .
H6 H 0.5785 0.7934 0.8811 0.033 Uiso 1 calc R .
C7 C 0.8031(8) 0.8728(6) 0.8870(5) 0.031(2) Uani 1 d . .
H7 H 0.7779 0.9476 0.8995 0.037 Uiso 1 calc R .
C8 C 0.9632(8) 0.8561(6) 0.8782(5) 0.0284(15) Uani 1 d . .
C9 C 0.9941(7) 0.7433(6) 0.8613(5) 0.0294(15) Uani 1 d . .
H9 H 1.0998 0.7282 0.8554 0.035 Uiso 1 calc R .
C10 C 0.8652(7) 0.6547(6) 0.8533(5) 0.0261(14) Uani 1 d . .
H10 H 0.8865 0.5789 0.8409 0.031 Uiso 1 calc R .
N51 N 1.0899(8) 0.9579(5) 0.8839(5) 0.0339(14) Uani 1 d . .
N52 N 1.2122(9) 0.9458(4) 0.8690(4) 0.0295(13) Uani 1 d . .
N53 N 1.3550(9) 0.9504(6) 0.8526(6) 0.051(2) Uani 1 d . .
N3 N 0.1538(6) 0.3572(4) 0.4918(4) 0.0249(12) Uani 1 d . .
C11 C 0.0870(8) 0.2517(6) 0.4530(5) 0.0281(14) Uani 1 d . .
H11 H -0.0254 0.2363 0.4432 0.034 Uiso 1 calc R .
C12 C 0.1728(7) 0.1645(6) 0.4267(5) 0.0287(15) Uani 1 d . .
H12 H 0.1203 0.0913 0.4011 0.034 Uiso 1 calc R .
C13 C 0.3398(8) 0.1875(6) 0.4389(5) 0.0277(14) Uani 1 d . .
C14 C 0.4126(8) 0.2949(6) 0.4813(5) 0.0264(14) Uani 1 d . .
H14 H 0.5246 0.3116 0.4929 0.032 Uiso 1 calc R .
C15 C 0.3164(7) 0.3762(5) 0.5059(5) 0.0240(14) Uani 1 d . .
H15 H 0.3660 0.4491 0.5342 0.029 Uiso 1 calc R .
N61 N 0.4248(8) 0.0945(5) 0.4067(5) 0.0345(14) Uani 1 d . .
N62 N 0.5606(7) 0.1139(4) 0.4078(4) 0.0234(12) Uani 1 d . .
N63 N 0.7024(8) 0.1180(6) 0.4067(6) 0.047(2) Uani 1 d . .

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
Mn1 0.0134(5) 0.0357(6) 0.0166(5) -0.0010(4) -0.0023(3) -0.0002(4)
Mn2 0.0105(7) 0.0334(8) 0.0176(7) -0.0014(5) -0.0013(5) 0.0018(5)
N11 0.023(3) 0.037(3) 0.016(3) -0.007(2) -0.004(2) 0.001(2)
N12 0.015(3) 0.045(4) 0.017(3) 0.001(2) 0.002(2) 0.003(2)
N13 0.028(3) 0.050(4) 0.034(3) 0.001(3) 0.002(3) 0.004(3)
N21 0.015(3) 0.045(3) 0.028(3) -0.001(2) -0.006(2) -0.003(2)
N22 0.019(3) 0.031(3) 0.021(3) 0.002(2) 0.003(2) 0.003(2)
N23 0.017(3) 0.046(3) 0.022(3) 0.000(2) -0.003(2) 0.003(2)
N31 0.027(3) 0.050(4) 0.026(3) -0.009(3) 0.012(3) -0.008(3)
N32 0.018(3) 0.026(3) 0.020(3) 0.004(2) -0.004(2) 0.000(2)
N33 0.017(3) 0.032(3) 0.027(3) -0.001(2) 0.006(2) 0.000(2)
N1 0.017(3) 0.039(3) 0.020(3) 0.002(2) 0.001(2) 0.002(2)
C1 0.016(3) 0.033(4) 0.026(3) 0.001(3) 0.001(3) 0.000(3)
C2 0.011(3) 0.036(4) 0.023(3) 0.002(3) 0.000(2) -0.002(3)
C3 0.024(3) 0.026(3) 0.027(3) 0.003(3) 0.000(3) 0.001(3)
C4 0.026(4) 0.022(3) 0.029(3) -0.002(3) -0.003(3) 0.005(3)
C5 0.018(3) 0.041(4) 0.022(3) 0.002(3) 0.002(2) 0.003(3)
N41 0.031(3) 0.033(3) 0.026(3) -0.003(2) -0.005(2) 0.000(3)
N42 0.027(4) 0.023(3) 0.022(3) -0.003(2) 0.002(2) -0.012(2)
N43 0.022(3) 0.037(3) 0.049(4) -0.006(3) 0.002(3) -0.003(3)
N2 0.015(3) 0.043(3) 0.017(3) -0.004(2) -0.005(2) 0.002(2)
C6 0.017(3) 0.038(4) 0.028(3) 0.005(3) 0.003(3) 0.003(3)
C7 0.020(3) 0.042(4) 0.030(4) 0.002(3) 0.005(3) -0.001(3)
C8 0.024(4) 0.043(4) 0.015(3) 0.005(3) -0.006(2) -0.004(3)
C9 0.010(3) 0.052(4) 0.024(3) -0.003(3) -0.002(2) -0.002(3)
C10 0.023(4) 0.033(4) 0.024(3) -0.002(3) -0.005(3) 0.009(3)
N51 0.039(4) 0.030(3) 0.027(3) 0.002(2) -0.002(3) -0.010(3)
N52 0.045(4) 0.019(3) 0.020(3) 0.005(2) -0.009(3) -0.008(3)
N53 0.041(4) 0.054(4) 0.057(4) 0.017(3) -0.003(3) -0.003(3)
N3 0.020(3) 0.035(3) 0.021(3) 0.001(2) 0.001(2) 0.007(2)
C11 0.015(3) 0.036(4) 0.031(3) -0.002(3) -0.003(3) -0.002(3)
C12 0.020(3) 0.031(4) 0.035(4) -0.001(3) -0.004(3) 0.005(3)
C13 0.024(4) 0.031(4) 0.028(3) 0.001(3) 0.000(3) 0.005(3)
C14 0.015(3) 0.041(4) 0.022(3) -0.003(3) -0.003(2) 0.004(3)
C15 0.019(3) 0.034(4) 0.018(3) 0.000(3) 0.002(2) 0.001(3)
N61 0.038(4) 0.024(3) 0.041(3) -0.007(2) -0.008(3) 0.005(3)
N62 0.031(4) 0.017(3) 0.024(3) -0.005(2) 0.008(2) 0.008(2)
N63 0.036(4) 0.052(4) 0.053(4) -0.010(3) 0.001(3) 0.009(3)

_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
Mn1 N31 2.185(5) . yes
Mn1 N21 2.205(6) . yes
Mn1 N11 2.230(5) 2_667 yes
Mn1 N11 2.230(5) . yes
Mn1 N2 2.239(5) . yes
Mn1 N1 2.275(5) . yes
Mn2 N23 2.181(5) 2_566 yes
Mn2 N23 2.181(5) . yes
Mn2 N33 2.203(5) 2_666 yes
Mn2 N33 2.203(5) 1_455 yes
Mn2 N3 2.242(5) . yes
Mn2 N3 2.242(5) 2_566 yes
N11 N12 1.167(8) . yes
N11 Mn1 2.230(5) 2_667 ?
N12 N13 1.157(8) . yes
N21 N22 1.167(7) . yes
N22 N23 1.173(7) . yes
N31 N32 1.169(7) . yes
N32 N33 1.163(7) . yes
N33 Mn2 2.203(5) 1_655 ?
N1 C1 1.327(8) . ?
N1 C5 1.328(8) . ?
C1 C2 1.385(8) . ?
C2 C3 1.346(8) . ?
C3 C4 1.383(9) . ?
C3 N41 1.439(8) . ?
C4 C5 1.380(9) . ?
N41 N42 1.165(8) . yes
N42 N43 1.165(8) . yes
N2 C6 1.332(8) . ?
N2 C10 1.337(8) . ?
C6 C7 1.338(9) . ?
C7 C8 1.386(9) . ?
C8 C9 1.378(9) . ?
C8 N51 1.453(8) . ?
C9 C10 1.364(9) . ?
N51 N52 1.070(8) . yes
N52 N53 1.206(9) . yes
N3 C11 1.327(8) . ?
N3 C15 1.345(8) . ?
C11 C12 1.360(9) . ?
C12 C13 1.379(9) . ?
C13 C14 1.372(8) . ?
C13 N61 1.429(8) . ?
C14 C15 1.360(9) . ?
N61 N62 1.120(8) . yes
N62 N63 1.177(8) . yes

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
N31 Mn1 N21 99.9(2) . . yes
N31 Mn1 N11 169.7(2) . 2_667 yes
N21 Mn1 N11 90.1(2) . 2_667 yes
N31 Mn1 N11 89.6(2) . . yes
N21 Mn1 N11 170.4(2) . . yes
N11 Mn1 N11 80.3(2) 2_667 . yes
N31 Mn1 N2 88.1(2) . . yes
N21 Mn1 N2 86.8(2) . . yes
N11 Mn1 N2 94.5(2) 2_667 . yes
N11 Mn1 N2 94.3(2) . . yes
N31 Mn1 N1 88.1(2) . . yes
N21 Mn1 N1 89.0(2) . . yes
N11 Mn1 N1 90.1(2) 2_667 . yes
N11 Mn1 N1 90.6(2) . . yes
N2 Mn1 N1 173.8(2) . . yes
N23 Mn2 N23 180.0 2_566 . ?
N23 Mn2 N33 92.4(2) 2_566 2_666 yes
N23 Mn2 N33 87.6(2) . 2_666 ?
N23 Mn2 N33 87.6(2) 2_566 1_455 ?
N23 Mn2 N33 92.4(2) . 1_455 ?
N33 Mn2 N33 180.0 2_666 1_455 ?
N23 Mn2 N3 86.8(2) 2_566 . ?
N23 Mn2 N3 93.2(2) . . yes
N33 Mn2 N3 88.4(2) 2_666 . ?
N33 Mn2 N3 91.6(2) 1_455 . yes
N23 Mn2 N3 93.2(2) 2_566 2_566 ?
N23 Mn2 N3 86.8(2) . 2_566 ?
N33 Mn2 N3 91.6(2) 2_666 2_566 ?
N33 Mn2 N3 88.4(2) 1_455 2_566 ?
N3 Mn2 N3 180.0 . 2_566 ?
N12 N11 Mn1 127.1(4) . 2_667 yes
N12 N11 Mn1 121.1(4) . . yes
Mn1 N11 Mn1 99.7(2) 2_667 . yes
N13 N12 N11 179.4(6) . . yes
N22 N21 Mn1 125.2(5) . . yes
N21 N22 N23 177.5(6) . . yes
N22 N23 Mn2 137.8(4) . . yes
N32 N31 Mn1 167.5(5) . . yes
N33 N32 N31 178.2(6) . . yes
N32 N33 Mn2 127.2(4) . 1_655 yes
C1 N1 C5 117.1(5) . . ?
C1 N1 Mn1 121.3(4) . . ?
C5 N1 Mn1 120.6(4) . . ?
N1 C1 C2 123.4(6) . . ?
C3 C2 C1 118.6(6) . . ?
C2 C3 C4 119.5(6) . . ?
C2 C3 N41 125.2(6) . . ?
C4 C3 N41 115.3(5) . . ?
C5 C4 C3 117.9(6) . . ?
N1 C5 C4 123.4(6) . . ?
N42 N41 C3 116.4(5) . . yes
N41 N42 N43 169.9(6) . . yes
C6 N2 C10 115.8(5) . . ?
C6 N2 Mn1 122.0(4) . . ?
C10 N2 Mn1 122.2(4) . . ?
N2 C6 C7 124.5(6) . . ?
C6 C7 C8 119.0(6) . . ?
C9 C8 C7 118.2(6) . . ?
C9 C8 N51 123.1(6) . . ?
C7 C8 N51 118.7(6) . . ?
C10 C9 C8 118.1(6) . . ?
N2 C10 C9 124.2(6) . . ?
N52 N51 C8 118.7(6) . . yes
N51 N52 N53 170.2(7) . . yes
C11 N3 C15 116.5(5) . . ?
C11 N3 Mn2 119.0(4) . . ?
C15 N3 Mn2 123.6(4) . . ?
N3 C11 C12 124.0(6) . . ?
C11 C12 C13 118.2(6) . . ?
C14 C13 C12 119.2(6) . . ?
C14 C13 N61 124.6(6) . . ?
C12 C13 N61 116.2(6) . . ?
C15 C14 C13 118.2(6) . . ?
N3 C15 C14 123.8(6) . . ?
N62 N61 C13 117.4(5) . . yes
N61 N62 N63 170.8(6) . . yes

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
N31 Mn1 N11 N12 -33.1(5) . . . . ?
N11 Mn1 N11 N12 144.9(6) 2_667 . . . ?
N2 Mn1 N11 N12 -121.3(5) . . . . ?
N1 Mn1 N11 N12 54.9(5) . . . . ?
N31 Mn1 N11 Mn1 -178.0(2) . . . 2_667 ?
N11 Mn1 N11 Mn1 0.0 2_667 . . 2_667 ?
N2 Mn1 N11 Mn1 93.8(2) . . . 2_667 ?
N1 Mn1 N11 Mn1 -90.0(2) . . . 2_667 ?
N31 Mn1 N21 N22 90.5(5) . . . . ?
N11 Mn1 N21 N22 -87.4(5) 2_667 . . . ?
N2 Mn1 N21 N22 178.1(5) . . . . ?
N1 Mn1 N21 N22 2.6(5) . . . . ?
N33 Mn2 N23 N22 -40.1(7) 2_666 . . . ?
N33 Mn2 N23 N22 139.9(7) 1_455 . . . ?
N3 Mn2 N23 N22 48.2(7) . . . . ?
N3 Mn2 N23 N22 -131.8(7) 2_566 . . . ?
N21 Mn1 N31 N32 68.7(24) . . . . ?
N11 Mn1 N31 N32 -123.0(23) 2_667 . . . ?
N11 Mn1 N31 N32 -112.1(24) . . . . ?
N2 Mn1 N31 N32 -17.7(24) . . . . ?
N1 Mn1 N31 N32 157.3(24) . . . . ?
N31 Mn1 N1 C1 -153.8(5) . . . . ?
N21 Mn1 N1 C1 -53.8(5) . . . . ?
N11 Mn1 N1 C1 36.3(5) 2_667 . . . ?
N11 Mn1 N1 C1 116.7(5) . . . . ?
N31 Mn1 N1 C5 14.2(5) . . . . ?
N21 Mn1 N1 C5 114.2(5) . . . . ?
N11 Mn1 N1 C5 -155.7(5) 2_667 . . . ?
N11 Mn1 N1 C5 -75.4(5) . . . . ?
C5 N1 C1 C2 -2.3(9) . . . . ?
Mn1 N1 C1 C2 166.1(5) . . . . ?
N1 C1 C2 C3 -0.4(10) . . . . ?
C1 C2 C3 C4 3.9(9) . . . . ?
C1 C2 C3 N41 -177.3(6) . . . . ?
C2 C3 C4 C5 -4.6(9) . . . . ?
N41 C3 C4 C5 176.6(5) . . . . ?
C1 N1 C5 C4 1.6(9) . . . . ?
Mn1 N1 C5 C4 -166.9(5) . . . . ?
C3 C4 C5 N1 1.8(10) . . . . ?
C2 C3 N41 N42 7.3(9) . . . . ?
C4 C3 N41 N42 -173.9(6) . . . . ?
C3 N41 N42 N43 168.5(35) . . . . ?
N31 Mn1 N2 C6 144.4(5) . . . . ?
N21 Mn1 N2 C6 44.4(5) . . . . ?
N11 Mn1 N2 C6 -45.5(5) 2_667 . . . ?
N11 Mn1 N2 C6 -126.1(5) . . . . ?
N31 Mn1 N2 C10 -36.7(5) . . . . ?
N21 Mn1 N2 C10 -136.7(5) . . . . ?
N11 Mn1 N2 C10 133.4(5) 2_667 . . . ?
N11 Mn1 N2 C10 52.8(5) . . . . ?
C10 N2 C6 C7 -2.1(9) . . . . ?
Mn1 N2 C6 C7 176.8(5) . . . . ?
N2 C6 C7 C8 1.9(10) . . . . ?
C6 C7 C8 C9 -0.9(9) . . . . ?
C6 C7 C8 N51 177.4(6) . . . . ?
C7 C8 C9 C10 0.5(9) . . . . ?
N51 C8 C9 C10 -177.7(6) . . . . ?
C6 N2 C10 C9 1.6(9) . . . . ?
Mn1 N2 C10 C9 -177.4(5) . . . . ?
C8 C9 C10 N2 -0.8(9) . . . . ?
C9 C8 N51 N52 4.0(10) . . . . ?
C7 C8 N51 N52 -174.2(6) . . . . ?
N23 Mn2 N3 C11 -38.4(5) 2_566 . . . ?
N23 Mn2 N3 C11 141.6(5) . . . . ?
N33 Mn2 N3 C11 -130.9(5) 2_666 . . . ?
N33 Mn2 N3 C11 49.1(5) 1_455 . . . ?
N23 Mn2 N3 C15 130.1(5) 2_566 . . . ?
N23 Mn2 N3 C15 -49.9(5) . . . . ?
N33 Mn2 N3 C15 37.7(5) 2_666 . . . ?
N33 Mn2 N3 C15 -142.3(5) 1_455 . . . ?
C15 N3 C11 C12 -0.5(9) . . . . ?
Mn2 N3 C11 C12 168.8(5) . . . . ?
N3 C11 C12 C13 -1.3(10) . . . . ?
C11 C12 C13 C14 2.6(9) . . . . ?
C11 C12 C13 N61 -178.0(6) . . . . ?
C12 C13 C14 C15 -2.2(9) . . . . ?
N61 C13 C14 C15 178.5(6) . . . . ?
C11 N3 C15 C14 1.0(9) . . . . ?
Mn2 N3 C15 C14 -167.9(5) . . . . ?
C13 C14 C15 N3 0.4(9) . . . . ?
C14 C13 N61 N62 -6.5(10) . . . . ?
C12 C13 N61 N62 174.2(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.99
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.99
_refine_diff_density_max         0.982
_refine_diff_density_min         -0.963
_refine_diff_density_rms         0.136