#------------------------------------------------------------------------------
#$Date: 2016-03-21 19:19:44 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178845 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/99/4109922.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_4109922
loop_
_publ_author_name
'Juan-Manuel Herrera'
'Simon J. A. Pope'
'Anthony J. H. M. Meijer'
'Timothy L. Easun'
'Harry Adams'
'Wassim Z. Alsindi'
'Xue-Zhong Sun'
'Michael W. George'
'Stephen Faulkner'
'Michael D. Ward'
_publ_contact_author
; 
        Prof. Mike Ward
        Department of Chemistry
        University of Sheffield
        SHEFFIELD
        S3 7HF
;
_publ_contact_author_email       m.d.ward@sheffield.ac.uk
_publ_contact_author_fax         '0114 2229346'
_publ_section_title
;
 Photophysical and Structural Properties of Cyanoruthenate Complexes of
 Hexaazatriphenylene
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11491
_journal_page_last               11504
_journal_paper_doi               10.1021/ja072672w
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C48 H70 Eu2 N30 O26 Ru3'
_chemical_formula_weight         2090.47
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 124.627(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   33.824(6)
_cell_length_b                   13.260(2)
_cell_length_c                   19.672(4)
_cell_measurement_reflns_used    4508
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      53.176
_cell_measurement_theta_min      4.742
_cell_volume                     7260(2)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       '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  0.2020
_diffrn_reflns_av_sigmaI/netI    0.1486
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            33059
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.46
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.410
_exptl_absorpt_correction_T_max  0.8123
_exptl_absorpt_correction_T_min  0.5317
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.913
_exptl_crystal_density_meas      0
_exptl_crystal_description       Plate
_exptl_crystal_F_000             4136
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.853
_refine_diff_density_min         -2.797
_refine_diff_density_rms         0.271
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         6339
_refine_ls_number_restraints     92
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.1142
_refine_ls_R_factor_gt           0.0706
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0725P)²+121.6083P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1710
_refine_ls_wR_factor_ref         0.1934
_reflns_number_gt                4324
_reflns_number_total             6339
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja072672wsi20070501_014951_3.cif
_cod_data_source_block           Eu[1]
_cod_database_code               4109922
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.63120(2) 0.33896(4) 0.73239(4) 0.0165(2) Uani 1 1 d . . .
Ru2 Ru 0.5000 0.53910(9) 0.7500 0.0152(3) Uani 1 2 d S . .
Ru1 Ru 0.67649(4) -0.18840(7) 0.64718(6) 0.0168(3) Uani 1 1 d . . .
C2 C 0.5751(4) -0.2559(9) 0.6050(7) 0.020(2) Uani 1 1 d U . .
H2 H 0.5837 -0.3242 0.6054 0.024 Uiso 1 1 calc R . .
C3 C 0.5301(5) -0.2342(9) 0.5868(7) 0.020(2) Uani 1 1 d U . .
H3 H 0.5090 -0.2892 0.5741 0.024 Uiso 1 1 calc R . .
C5 C 0.5462(4) -0.0678(8) 0.6047(7) 0.0170(15) Uani 1 1 d U . .
C6 C 0.5920(5) -0.0881(8) 0.6230(7) 0.0177(15) Uani 1 1 d U . .
C12 C 0.6982(5) 0.0433(9) 0.6745(8) 0.022(2) Uani 1 1 d U . .
H12 H 0.7280 0.0302 0.6817 0.027 Uiso 1 1 calc R . .
C13 C 0.6876(5) 0.1437(9) 0.6852(8) 0.023(2) Uani 1 1 d U . .
H13 H 0.7106 0.1954 0.6997 0.028 Uiso 1 1 calc R . .
C15 C 0.6146(4) 0.0919(8) 0.6496(7) 0.0169(15) Uani 1 1 d U . .
C16 C 0.6252(4) -0.0070(8) 0.6426(7) 0.0166(15) Uani 1 1 d U . .
C22 C 0.4772(5) 0.1549(9) 0.5806(7) 0.023(2) Uani 1 1 d U . .
H22 H 0.4453 0.1735 0.5613 0.028 Uiso 1 1 calc R . .
C23 C 0.5115(5) 0.2290(9) 0.6090(7) 0.022(2) Uani 1 1 d U . .
H23 H 0.5025 0.2964 0.6104 0.027 Uiso 1 1 calc R . .
C25 C 0.5667(4) 0.1150(8) 0.6298(7) 0.0152(15) Uani 1 1 d U . .
C26 C 0.5333(4) 0.0370(8) 0.6051(7) 0.0150(15) Uani 1 1 d U . .
C31 C 0.7092(5) -0.1951(10) 0.7720(10) 0.030(3) Uani 1 1 d . . .
C33 C 0.6782(4) -0.3341(9) 0.6412(7) 0.019(3) Uani 1 1 d . . .
C35 C 0.7425(5) -0.1785(8) 0.6732(7) 0.018(3) Uani 1 1 d . . .
C37 C 0.6501(5) -0.1879(9) 0.5240(9) 0.025(3) Uani 1 1 d . . .
C42 C 0.5914(5) 0.6640(9) 0.7967(8) 0.021(2) Uani 1 1 d U . .
H42 H 0.6077 0.6023 0.8041 0.025 Uiso 1 1 calc R . .
C43 C 0.6151(5) 0.7537(9) 0.8103(8) 0.022(2) Uani 1 1 d U . .
H43 H 0.6477 0.7509 0.8284 0.026 Uiso 1 1 calc R . .
C45 C 0.5492(4) 0.8444(8) 0.7775(7) 0.0174(18) Uani 1 1 d U . .
C46 C 0.5247(4) 0.7531(8) 0.7623(7) 0.0142(18) Uani 1 1 d U . .
C52 C 0.5248(5) 1.1097(9) 0.7657(8) 0.024(3) Uani 1 1 d . . .
H52 H 0.5410 1.1723 0.7764 0.029 Uiso 1 1 calc R . .
C53 C 0.5241(4) 0.9388(8) 0.7643(7) 0.0169(19) Uani 1 1 d U . .
C61 C 0.5230(5) 0.5362(8) 0.8708(8) 0.022(3) Uani 1 1 d . . .
C63 C 0.5458(4) 0.4336(8) 0.7628(7) 0.015(3) Uani 1 1 d . . .
N1 N 0.6069(4) -0.1830(7) 0.6220(6) 0.015(2) Uani 1 1 d . . .
N4 N 0.5142(4) -0.1426(8) 0.5858(7) 0.026(3) Uani 1 1 d . . .
N11 N 0.6682(4) -0.0321(7) 0.6551(6) 0.022(2) Uani 1 1 d . . .
N14 N 0.6466(4) 0.1671(7) 0.6753(6) 0.018(2) Uani 1 1 d . . .
N21 N 0.4872(4) 0.0565(8) 0.5792(6) 0.020(2) Uani 1 1 d . . .
N24 N 0.5568(4) 0.2113(7) 0.6346(6) 0.021(2) Uani 1 1 d . . .
N32 N 0.7291(4) -0.1980(11) 0.8428(8) 0.041(3) Uani 1 1 d . . .
N36 N 0.7812(4) -0.1772(7) 0.6913(7) 0.024(2) Uani 1 1 d . . .
N34 N 0.6781(4) -0.4242(7) 0.6388(6) 0.019(2) Uiso 1 1 d . . .
N38 N 0.6362(5) -0.1880(11) 0.4542(7) 0.043(3) Uani 1 1 d . . .
N41 N 0.5453(4) 0.6622(7) 0.7729(6) 0.022(2) Uani 1 1 d . . .
N44 N 0.5957(4) 0.8427(7) 0.8000(6) 0.021(2) Uani 1 1 d . . .
N51 N 0.5491(4) 1.0254(7) 0.7805(6) 0.019(2) Uani 1 1 d . . .
N62 N 0.5335(4) 0.5298(8) 0.9385(7) 0.025(2) Uani 1 1 d . . .
N64 N 0.5703(4) 0.3767(7) 0.7598(6) 0.019(2) Uani 1 1 d . . .
O11 O 0.6352(3) 0.1942(6) 0.8101(5) 0.024(2) Uani 1 1 d . . .
H111 H 0.6552 0.1471 0.8232 0.029 Uiso 1 1 d R . .
H112 H 0.6345 0.2012 0.8523 0.029 Uiso 1 1 d R . .
O12 O 0.6686(3) 0.3945(7) 0.8754(5) 0.029(2) Uani 1 1 d . . .
H121 H 0.6923 0.3635 0.9161 0.035 Uiso 1 1 d R . .
H122 H 0.6549 0.4232 0.8952 0.035 Uiso 1 1 d R . .
O13 O 0.6546(3) 0.5156(6) 0.7514(5) 0.024(2) Uani 1 1 d . . .
H131 H 0.6794 0.5231 0.8004 0.029 Uiso 1 1 d R . .
H132 H 0.6581 0.5591 0.7235 0.029 Uiso 1 1 d R . .
O14 O 0.5632(3) 0.4349(7) 0.6101(5) 0.031(2) Uani 1 1 d . . .
H141 H 0.5631 0.4328 0.5668 0.037 Uiso 1 1 d R . .
H142 H 0.5392 0.4711 0.5968 0.037 Uiso 1 1 d R . .
O15 O 0.6470(3) 0.3715(6) 0.6285(5) 0.026(2) Uani 1 1 d . . .
H151 H 0.6353 0.3549 0.5786 0.032 Uiso 1 1 d R . .
H152 H 0.6651 0.4213 0.6364 0.032 Uiso 1 1 d R . .
O1W O 0.7301(4) 0.5986(7) 0.8970(6) 0.040(3) Uani 1 1 d . . .
O2W O 0.1168(5) 0.7757(10) 0.4871(7) 0.063(4) Uani 1 1 d . . .
O3W O 0.3014(4) 0.6402(8) 0.5050(7) 0.045(3) Uani 1 1 d . . .
O4W O 0.9029(4) 0.5784(12) 0.0255(7) 0.073(4) Uani 1 1 d . . .
O5W O 0.1354(4) 0.9753(8) 0.9655(7) 0.047(3) Uani 1 1 d . . .
O6W O 0.1627(5) 0.4987(7) 0.3273(8) 0.055(3) Uani 1 1 d . . .
O7W O 0.2642(14) 0.109(3) 0.506(2) 0.077(7) Uiso 0.38(2) 1 d PU A 1
O7W' O 0.2540(9) 0.1858(19) 0.5028(15) 0.077(6) Uiso 0.62(2) 1 d PU . 2
O8W O 0.8237(8) 0.5250(14) 0.0154(12) 0.046(6) Uani 0.50 1 d P . .
O9W O 0.2463(11) 0.046(2) 0.5912(18) 0.082(9) Uiso 0.50 1 d P . .
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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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
O11 Eu1 O15 135.8(3) . .
O11 Eu1 O13 140.7(3) . .
O15 Eu1 O13 75.6(3) . .
O11 Eu1 O12 72.8(3) . .
O15 Eu1 O12 134.1(3) . .
O13 Eu1 O12 67.9(3) . .
O11 Eu1 N36 86.0(3) . 4_656
O15 Eu1 N36 76.3(3) . 4_656
O13 Eu1 N36 79.4(3) . 4_656
O12 Eu1 N36 70.6(3) . 4_656
O11 Eu1 N64 77.0(3) . .
O15 Eu1 N64 139.6(3) . .
O13 Eu1 N64 90.6(3) . .
O12 Eu1 N64 68.8(3) . .
N36 Eu1 N64 138.9(3) 4_656 .
O11 Eu1 O14 134.1(3) . .
O15 Eu1 O14 68.0(3) . .
O13 Eu1 O14 72.7(3) . .
O12 Eu1 O14 122.5(3) . .
N36 Eu1 O14 139.0(3) 4_656 .
N64 Eu1 O14 71.6(3) . .
O11 Eu1 N14 68.9(3) . .
O15 Eu1 N14 67.4(3) . .
O13 Eu1 N14 138.5(3) . .
O12 Eu1 N14 129.1(3) . .
N36 Eu1 N14 74.4(3) 4_656 .
N64 Eu1 N14 130.0(3) . .
O14 Eu1 N14 108.2(3) . .
O11 Eu1 N24 69.4(3) . .
O15 Eu1 N24 94.2(3) . .
O13 Eu1 N24 142.9(3) . .
O12 Eu1 N24 131.7(3) . .
N36 Eu1 N24 133.5(3) 4_656 .
N64 Eu1 N24 74.2(3) . .
O14 Eu1 N24 70.4(3) . .
N14 Eu1 N24 60.2(3) . .
O11 Eu1 H131 125.5 . .
O15 Eu1 H131 84.3 . .
O13 Eu1 H131 16.7 . .
O12 Eu1 H131 54.0 . .
N36 Eu1 H131 67.3 4_656 .
N64 Eu1 H131 92.9 . .
O14 Eu1 H131 89.1 . .
N14 Eu1 H131 136.7 . .
N24 Eu1 H131 158.2 . .
C63 Ru2 C63 90.9(6) 2_656 .
C63 Ru2 C61 83.6(5) 2_656 .
C63 Ru2 C61 94.9(5) . .
C63 Ru2 C61 94.9(5) 2_656 2_656
C63 Ru2 C61 83.6(5) . 2_656
C61 Ru2 C61 177.8(6) . 2_656
C63 Ru2 N41 95.6(4) 2_656 2_656
C63 Ru2 N41 171.9(4) . 2_656
C61 Ru2 N41 90.7(4) . 2_656
C61 Ru2 N41 91.0(4) 2_656 2_656
C63 Ru2 N41 171.9(4) 2_656 .
C63 Ru2 N41 95.6(4) . .
C61 Ru2 N41 91.0(4) . .
C61 Ru2 N41 90.7(4) 2_656 .
N41 Ru2 N41 78.4(6) 2_656 .
C33 Ru1 C35 90.7(5) . .
C33 Ru1 C31 90.9(5) . .
C35 Ru1 C31 86.1(5) . .
C33 Ru1 C37 86.5(5) . .
C35 Ru1 C37 88.6(5) . .
C31 Ru1 C37 174.1(5) . .
C33 Ru1 N11 173.6(4) . .
C35 Ru1 N11 95.4(4) . .
C31 Ru1 N11 87.6(5) . .
C37 Ru1 N11 95.6(4) . .
C33 Ru1 N1 95.1(4) . .
C35 Ru1 N1 174.2(4) . .
C31 Ru1 N1 93.0(4) . .
C37 Ru1 N1 92.5(4) . .
N11 Ru1 N1 78.8(4) . .
N1 C2 C3 121.6(11) . .
N1 C2 H2 119.2 . .
C3 C2 H2 119.2 . .
N4 C3 C2 125.0(11) . .
N4 C3 H3 117.5 . .
C2 C3 H3 117.5 . .
N4 C5 C6 121.5(10) . .
N4 C5 C26 120.3(11) . .
C6 C5 C26 118.2(11) . .
N1 C6 C5 122.6(11) . .
N1 C6 C16 117.0(11) . .
C5 C6 C16 120.3(10) . .
N11 C12 C13 122.2(12) . .
N11 C12 H12 118.9 . .
C13 C12 H12 118.9 . .
N14 C13 C12 121.9(12) . .
N14 C13 H13 119.1 . .
C12 C13 H13 119.1 . .
N14 C15 C16 122.7(11) . .
N14 C15 C25 118.6(10) . .
C16 C15 C25 118.7(11) . .
N11 C16 C15 121.3(11) . .
N11 C16 C6 117.0(10) . .
C15 C16 C6 121.7(11) . .
N21 C22 C23 122.3(12) . .
N21 C22 H22 118.8 . .
C23 C22 H22 118.8 . .
N24 C23 C22 123.5(11) . .
N24 C23 H23 118.3 . .
C22 C23 H23 118.3 . .
N24 C25 C26 123.1(11) . .
N24 C25 C15 117.6(10) . .
C26 C25 C15 119.3(10) . .
N21 C26 C25 121.0(10) . .
N21 C26 C5 117.5(10) . .
C25 C26 C5 121.5(11) . .
N32 C31 Ru1 177.6(12) . .
N34 C33 Ru1 177.1(10) . .
N36 C35 Ru1 176.2(10) . .
N38 C37 Ru1 178.2(12) . .
N41 C42 C43 120.9(11) . .
N41 C42 H42 119.5 . .
C43 C42 H42 119.5 . .
N44 C43 C42 124.5(12) . .
N44 C43 H43 117.7 . .
C42 C43 H43 117.7 . .
N44 C45 C46 119.0(10) . .
N44 C45 C53 121.4(11) . .
C46 C45 C53 119.5(11) . .
N41 C46 C45 123.2(11) . .
N41 C46 C46 116.7(7) . 2_656
C45 C46 C46 120.0(7) . 2_656
N51 C52 C52 122.0(7) . 2_656
N51 C52 H52 119.0 . .
C52 C52 H52 119.0 2_656 .
N51 C53 C53 121.9(7) . 2_656
N51 C53 C45 117.7(11) . .
C53 C53 C45 120.4(7) 2_656 .
N62 C61 Ru2 175.3(11) . .
N64 C63 Ru2 170.8(10) . .
C2 N1 C6 114.8(10) . .
C2 N1 Ru1 131.5(8) . .
C6 N1 Ru1 113.7(8) . .
C3 N4 C5 114.4(11) . .
C12 N11 C16 115.7(10) . .
C12 N11 Ru1 130.8(9) . .
C16 N11 Ru1 113.4(7) . .
C13 N14 C15 115.9(10) . .
C13 N14 Eu1 124.5(8) . .
C15 N14 Eu1 118.3(7) . .
C22 N21 C26 115.0(10) . .
C23 N24 C25 114.9(11) . .
C23 N24 Eu1 124.1(8) . .
C25 N24 Eu1 118.5(8) . .
C35 N36 Eu1 164.0(10) . 4_646
C42 N41 C46 115.7(10) . .
C42 N41 Ru2 130.2(8) . .
C46 N41 Ru2 114.2(8) . .
C43 N44 C45 116.5(10) . .
C52 N51 C53 116.0(11) . .
C63 N64 Eu1 149.9(9) . .
Eu1 O11 H111 121.7 . .
Eu1 O11 H112 120.7 . .
H111 O11 H112 104.3 . .
Eu1 O12 H121 122.2 . .
Eu1 O12 H122 127.0 . .
H121 O12 H122 104.6 . .
Eu1 O13 H131 108.2 . .
Eu1 O13 H132 134.9 . .
H131 O13 H132 104.0 . .
Eu1 O14 H141 114.8 . .
Eu1 O14 H142 140.6 . .
H141 O14 H142 104.6 . .
Eu1 O15 H151 138.0 . .
Eu1 O15 H152 117.7 . .
H151 O15 H152 103.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O11 2.410(8) .
Eu1 O15 2.427(8) .
Eu1 O13 2.432(8) .
Eu1 O12 2.452(9) .
Eu1 N36 2.455(11) 4_656
Eu1 N64 2.460(10) .
Eu1 O14 2.531(9) .
Eu1 N14 2.719(10) .
Eu1 N24 2.720(11) .
Eu1 H131 2.8158 .
Ru2 C63 1.993(11) 2_656
Ru2 C63 1.993(11) .
Ru2 C61 2.038(14) .
Ru2 C61 2.038(14) 2_656
Ru2 N41 2.106(10) 2_656
Ru2 N41 2.106(10) .
Ru1 C33 1.938(12) .
Ru1 C35 1.990(13) .
Ru1 C31 2.043(16) .
Ru1 C37 2.052(14) .
Ru1 N11 2.109(10) .
Ru1 N1 2.114(10) .
C2 N1 1.340(14) .
C2 C3 1.380(17) .
C2 H2 0.9500 .
C3 N4 1.325(16) .
C3 H3 0.9500 .
C5 N4 1.354(15) .
C5 C6 1.401(17) .
C5 C26 1.457(15) .
C6 N1 1.360(14) .
C6 C16 1.441(16) .
C12 N11 1.318(15) .
C12 C13 1.426(17) .
C12 H12 0.9500 .
C13 N14 1.321(16) .
C13 H13 0.9500 .
C15 N14 1.343(15) .
C15 C16 1.387(15) .
C15 C25 1.466(17) .
C16 N11 1.370(15) .
C22 N21 1.351(16) .
C22 C23 1.373(18) .
C22 H22 0.9500 .
C23 N24 1.334(16) .
C23 H23 0.9500 .
C25 N24 1.337(14) .
C25 C26 1.399(16) .
C26 N21 1.362(15) .
C31 N32 1.152(18) .
C33 N34 1.195(15) .
C35 N36 1.145(16) .
C37 N38 1.171(17) .
C42 N41 1.348(16) .
C42 C43 1.373(17) .
C42 H42 0.9500 .
C43 N44 1.307(15) .
C43 H43 0.9500 .
C45 N44 1.372(16) .
C45 C46 1.401(16) .
C45 C53 1.451(15) .
C46 N41 1.348(15) .
C46 C46 1.45(2) 2_656
C52 N51 1.318(16) .
C52 C52 1.42(3) 2_656
C52 H52 0.9500 .
C53 N51 1.353(15) .
C53 C53 1.39(2) 2_656
C61 N62 1.169(15) .
C63 N64 1.147(14) .
N36 Eu1 2.455(11) 4_646
O11 H111 0.8464 .
O11 H112 0.8502 .
O12 H121 0.8491 .
O12 H122 0.8466 .
O13 H131 0.8504 .
O13 H132 0.8506 .
O14 H141 0.8494 .
O14 H142 0.8471 .
O15 H151 0.8516 .
O15 H152 0.8531 .
O7W' O7W' 1.72(5) 7_556
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
N1 C2 C3 N4 -1.4(19) . .
N4 C5 C6 N1 0.9(17) . .
C26 C5 C6 N1 -178.2(10) . .
N4 C5 C6 C16 179.8(10) . .
C26 C5 C6 C16 0.7(16) . .
N11 C12 C13 N14 -1(2) . .
N14 C15 C16 N11 -5.5(18) . .
C25 C15 C16 N11 175.7(10) . .
N14 C15 C16 C6 173.6(11) . .
C25 C15 C16 C6 -5.1(17) . .
N1 C6 C16 N11 2.7(15) . .
C5 C6 C16 N11 -176.3(10) . .
N1 C6 C16 C15 -176.5(10) . .
C5 C6 C16 C15 4.5(17) . .
N21 C22 C23 N24 2.5(19) . .
N14 C15 C25 N24 3.2(16) . .
C16 C15 C25 N24 -178.0(10) . .
N14 C15 C25 C26 -178.2(10) . .
C16 C15 C25 C26 0.6(16) . .
N24 C25 C26 N21 4.3(17) . .
C15 C25 C26 N21 -174.2(10) . .
N24 C25 C26 C5 -176.9(10) . .
C15 C25 C26 C5 4.7(16) . .
N4 C5 C26 N21 -5.5(16) . .
C6 C5 C26 N21 173.6(10) . .
N4 C5 C26 C25 175.6(10) . .
C6 C5 C26 C25 -5.3(16) . .
C33 Ru1 C31 N32 101(31) . .
C35 Ru1 C31 N32 11(31) . .
C37 Ru1 C31 N32 38(33) . .
N11 Ru1 C31 N32 -85(31) . .
N1 Ru1 C31 N32 -163(31) . .
C35 Ru1 C33 N34 148(25) . .
C31 Ru1 C33 N34 62(25) . .
C37 Ru1 C33 N34 -124(25) . .
N11 Ru1 C33 N34 -14(28) . .
N1 Ru1 C33 N34 -31(25) . .
C33 Ru1 C35 N36 -45(16) . .
C31 Ru1 C35 N36 45(16) . .
C37 Ru1 C35 N36 -132(16) . .
N11 Ru1 C35 N36 133(16) . .
N1 Ru1 C35 N36 127(15) . .
C33 Ru1 C37 N38 -80(37) . .
C35 Ru1 C37 N38 10(37) . .
C31 Ru1 C37 N38 -16(39) . .
N11 Ru1 C37 N38 106(37) . .
N1 Ru1 C37 N38 -175(100) . .
N41 C42 C43 N44 -1.7(19) . .
N44 C45 C46 N41 3.5(17) . .
C53 C45 C46 N41 179.9(10) . .
N44 C45 C46 C46 -179.4(12) . 2_656
C53 C45 C46 C46 -3.0(19) . 2_656
N44 C45 C53 N51 -4.5(16) . .
C46 C45 C53 N51 179.3(10) . .
N44 C45 C53 C53 175.2(13) . 2_656
C46 C45 C53 C53 -1(2) . 2_656
C63 Ru2 C61 N62 -5(13) 2_656 .
C63 Ru2 C61 N62 -95(13) . .
C61 Ru2 C61 N62 -50(13) 2_656 .
N41 Ru2 C61 N62 90(13) 2_656 .
N41 Ru2 C61 N62 169(13) . .
C63 Ru2 C63 N64 108(7) 2_656 .
C61 Ru2 C63 N64 -169(6) . .
C61 Ru2 C63 N64 13(6) 2_656 .
N41 Ru2 C63 N64 -35(9) 2_656 .
N41 Ru2 C63 N64 -77(7) . .
C3 C2 N1 C6 2.4(16) . .
C3 C2 N1 Ru1 -177.1(8) . .
C5 C6 N1 C2 -2.2(16) . .
C16 C6 N1 C2 178.8(10) . .
C5 C6 N1 Ru1 177.4(9) . .
C16 C6 N1 Ru1 -1.5(13) . .
C33 Ru1 N1 C2 -2.2(11) . .
C35 Ru1 N1 C2 -175(4) . .
C31 Ru1 N1 C2 -93.3(10) . .
C37 Ru1 N1 C2 84.5(10) . .
N11 Ru1 N1 C2 179.8(11) . .
C33 Ru1 N1 C6 178.2(8) . .
C35 Ru1 N1 C6 6(4) . .
C31 Ru1 N1 C6 87.1(8) . .
C37 Ru1 N1 C6 -95.0(8) . .
N11 Ru1 N1 C6 0.2(8) . .
C2 C3 N4 C5 -0.1(17) . .
C6 C5 N4 C3 0.3(16) . .
C26 C5 N4 C3 179.4(10) . .
C13 C12 N11 C16 2.4(17) . .
C13 C12 N11 Ru1 -173.1(9) . .
C15 C16 N11 C12 0.5(16) . .
C6 C16 N11 C12 -178.7(11) . .
C15 C16 N11 Ru1 176.7(9) . .
C6 C16 N11 Ru1 -2.4(13) . .
C33 Ru1 N11 C12 159(4) . .
C35 Ru1 N11 C12 -2.6(11) . .
C31 Ru1 N11 C12 83.2(11) . .
C37 Ru1 N11 C12 -91.8(11) . .
N1 Ru1 N11 C12 176.8(11) . .
C33 Ru1 N11 C16 -16(5) . .
C35 Ru1 N11 C16 -178.2(8) . .
C31 Ru1 N11 C16 -92.4(8) . .
C37 Ru1 N11 C16 92.7(8) . .
N1 Ru1 N11 C16 1.2(8) . .
C12 C13 N14 C15 -4.1(17) . .
C12 C13 N14 Eu1 162.7(9) . .
C16 C15 N14 C13 7.1(17) . .
C25 C15 N14 C13 -174.1(10) . .
C16 C15 N14 Eu1 -160.6(9) . .
C25 C15 N14 Eu1 18.2(13) . .
O11 Eu1 N14 C13 -108.9(10) . .
O15 Eu1 N14 C13 64.2(9) . .
O13 Eu1 N14 C13 35.6(11) . .
O12 Eu1 N14 C13 -65.1(10) . .
N36 Eu1 N14 C13 -17.2(9) 4_656 .
N64 Eu1 N14 C13 -159.2(9) . .
O14 Eu1 N14 C13 119.9(9) . .
N24 Eu1 N14 C13 173.4(10) . .
O11 Eu1 N14 C15 57.6(8) . .
O15 Eu1 N14 C15 -129.2(9) . .
O13 Eu1 N14 C15 -157.8(7) . .
O12 Eu1 N14 C15 101.5(9) . .
N36 Eu1 N14 C15 149.3(9) 4_656 .
N64 Eu1 N14 C15 7.4(10) . .
O14 Eu1 N14 C15 -73.6(8) . .
N24 Eu1 N14 C15 -20.1(8) . .
C23 C22 N21 C26 -2.3(16) . .
C25 C26 N21 C22 -0.9(15) . .
C5 C26 N21 C22 -179.7(10) . .
C22 C23 N24 C25 0.8(17) . .
C22 C23 N24 Eu1 -160.6(9) . .
C26 C25 N24 C23 -4.1(16) . .
C15 C25 N24 C23 174.4(10) . .
C26 C25 N24 Eu1 158.5(8) . .
C15 C25 N24 Eu1 -23.0(13) . .
O11 Eu1 N24 C23 106.1(10) . .
O15 Eu1 N24 C23 -116.2(9) . .
O13 Eu1 N24 C23 -44.8(11) . .
O12 Eu1 N24 C23 65.2(10) . .
N36 Eu1 N24 C23 168.7(9) 4_656 .
N64 Eu1 N24 C23 24.4(9) . .
O14 Eu1 N24 C23 -51.3(9) . .
N14 Eu1 N24 C23 -177.2(10) . .
O11 Eu1 N24 C25 -54.8(8) . .
O15 Eu1 N24 C25 83.0(8) . .
O13 Eu1 N24 C25 154.4(7) . .
O12 Eu1 N24 C25 -95.6(8) . .
N36 Eu1 N24 C25 7.9(10) 4_656 .
N64 Eu1 N24 C25 -136.4(8) . .
O14 Eu1 N24 C25 147.9(8) . .
N14 Eu1 N24 C25 22.0(7) . .
Ru1 C35 N36 Eu1 -63(18) . 4_646
C43 C42 N41 C46 1.1(16) . .
C43 C42 N41 Ru2 -178.4(9) . .
C45 C46 N41 C42 -2.1(16) . .
C46 C46 N41 C42 -179.3(12) 2_656 .
C45 C46 N41 Ru2 177.4(9) . .
C46 C46 N41 Ru2 0.2(16) 2_656 .
C63 Ru2 N41 C42 137(3) 2_656 .
C63 Ru2 N41 C42 -6.2(11) . .
C61 Ru2 N41 C42 88.8(11) . .
C61 Ru2 N41 C42 -89.8(11) 2_656 .
N41 Ru2 N41 C42 179.4(13) 2_656 .
C63 Ru2 N41 C46 -43(3) 2_656 .
C63 Ru2 N41 C46 174.4(8) . .
C61 Ru2 N41 C46 -90.6(8) . .
C61 Ru2 N41 C46 90.8(8) 2_656 .
N41 Ru2 N41 C46 -0.1(6) 2_656 .
C42 C43 N44 C45 3.0(18) . .
C46 C45 N44 C43 -3.7(16) . .
C53 C45 N44 C43 180.0(11) . .
C52 C52 N51 C53 0(2) 2_656 .
C53 C53 N51 C52 -1.5(19) 2_656 .
C45 C53 N51 C52 178.2(10) . .
Ru2 C63 N64 Eu1 50(8) . .
O11 Eu1 N64 C63 163.2(19) . .
O15 Eu1 N64 C63 -47(2) . .
O13 Eu1 N64 C63 20.8(19) . .
O12 Eu1 N64 C63 86.8(19) . .
N36 Eu1 N64 C63 95.2(19) 4_656 .
O14 Eu1 N64 C63 -50.7(19) . .
N14 Eu1 N64 C63 -149.4(18) . .
N24 Eu1 N64 C63 -124.8(19) . .
