
#=======================================================================
data_global
#=======================================================================

_audit_creation_method                   'Jana2006 Version : 25/10/2015'


# 1. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic            ?
_journal_date_to_coeditor                ?
_journal_date_from_coeditor              ?
_journal_date_accepted                   ?
_journal_date_printers_first             ?
_journal_date_printers_final             ?
_journal_date_proofs_out                 ?
_journal_date_proofs_in                  ?
_journal_coeditor_name                   ?
_journal_coeditor_code                   ?
_journal_coeditor_notes
; ?
;
_journal_techeditor_code                 ?
_journal_paper_category                  ?
_journal_techeditor_notes
; ?
;
_journal_coden_ASTM                      ?
_journal_name_full                       'Dalton Transactions'
_journal_year                            ?
_journal_volume                          ?
_journal_issue                           ?
_journal_page_first                      ?
_journal_page_last                       ?
_journal_suppl_publ_number               ?
_journal_suppl_publ_pages                ?

#=======================================================================

# 2. SUBMISSION DETAILS

_publ_contact_author_name                'Dr. Oliver Janka'
_publ_contact_author_address     
;Institut für Anorganische und Analytische Chemie
Corrensstrasse 30
48149 Münster
;
_publ_contact_author_email       ocjanka@uni-muenster.de
_publ_contact_author_phone       '0049 251 83-36047'
_publ_contact_author_fax         '0049 251 83-36002'

_publ_requested_journal                  'Dalton Trans.'
_publ_requested_category                 ?

_publ_contact_letter
; ?
;

#=======================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
; ?
;
_publ_section_title_footnote
; ?
;
loop_
 _publ_author_name
 _publ_author_address
      'Christopher Benndorf, MSc.'
;      Institut für Anorganische und Analytische Chemie
       Institut für Physikalische Chemie
       Westfälische Wilhelms-Universität Münster
       Corrensstrasse 28/30
       48149 Münster
       Bundesrepublik Deutschland
;
      'Prof. Dr. Hellmut Eckert'
;      Institut für Anorganische und Analytische Chemie
       Institut für Physikalische Chemie
       Westfälische Wilhelms-Universität Münster
       Corrensstrasse 28/30
       48149 Münster
       Bundesrepublik Deutschland
;
      'Dr. Oliver Janka'
;      Institut für Anorganische und Analytische Chemie
       Westfälische Wilhelms-Universität Münster
       Corrensstrasse 28/30
       48149 Münster
       Bundesrepublik Deutschland
;
#=======================================================================

# 4. TEXT

_publ_section_synopsis
; ?
;
_publ_section_abstract
; ?
;
_publ_section_comment
; ?
;
_publ_section_introduction
; ?
;
_publ_section_experimental
; ?
;
_publ_section_exptl_prep
; ?
;
_publ_section_exptl_refinement
; ?
;
_publ_section_exptl_solution
; ?
;
_publ_section_discussion
; ?
;
_publ_section_acknowledgements
; ?
;
_publ_section_references
;
Petricek, V., Dusek, M. & Palatinus L. (2014). Z. Kristallogr. 229(5), 345-352.

Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790.

# enable this reference if Diamond ver. 2 was used for visualization
#Brandenburg, K. (1999). DIAMOND. Version. 2.1c.
#Crystal Impact GbR, Bonn, Germany.

# enable this reference if Diamond ver. 3 was used for visualization
#Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3.
#Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany.

# enable this reference if SIR97 was used for solving of the structure
#Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C.,
#Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997).
#SIR97. A Package for Crystal Structure Solution by Direct Methods
#and Refinement, Bari, Rome, Italy.

# use this reference if SIR2002 was used for solving of the structure
#Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C.,
#Polidori, G., Spagna, R.
#SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103


# use this reference if SIR2011 was used for solving of the structure
#Burla, M.C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano,
#G.L., Giacovazzo, C., Mallamo. M., Mazzone, A., Polidori, G., Spagna, R.
#SIR2011: a new package for crystal structure determination and refinement,
#J.Appl.Cryst. (2012) 45, 357-361

# enable this reference if bond valences were calculated
#Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480.

# enable this reference if Xshape wase used for crystal shape refinement
#Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany.


# enable this reference if Flack coefficient was refined
#Flack, H. D. (1983). Acta Cryst. A39, 876-881.
;
_publ_section_figure_captions
; ?
;
_publ_section_table_legends
; ?
;

#=======================================================================
data_I
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
; ?
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Al3 Ru1 Y10'
_chemical_formula_weight                 1071.1
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting                   hexagonal
_symmetry_space_group_name_H-M           'P 63/m m c'
_symmetry_space_group_name_Hall          '-P 6c;-2c'
_symmetry_Int_Tables_number              194

loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1   x,y,z
 2   -y,x-y,z
 3   -x+y,-x,z
 4   -x,-y,z+1/2
 5   y,-x+y,z+1/2
 6   x-y,x,z+1/2
 7   y,x,-z
 8   x-y,-y,-z
 9   -x,-x+y,-z
 10  -y,-x,-z+1/2
 11  -x+y,y,-z+1/2
 12  x,x-y,-z+1/2
 13  -x,-y,-z
 14  y,-x+y,-z
 15  x-y,x,-z
 16  x,y,-z+1/2
 17  -y,x-y,-z+1/2
 18  -x+y,-x,-z+1/2
 19  -y,-x,z
 20  -x+y,y,z
 21  x,x-y,z
 22  y,x,z+1/2
 23  x-y,-y,z+1/2
 24  -x,-x+y,z+1/2

_cell_length_a                           9.5888(3)
_cell_length_b                           9.5888(3)
_cell_length_c                           9.5942(3)
_cell_angle_alpha                        90
_cell_angle_beta                         90
_cell_angle_gamma                        120
_cell_volume                             763.96(4)

loop_
 _twin_individual_id
 _twin_individual_mass_fraction_refined
 _twin_individual_twin_matrix_11
 _twin_individual_twin_matrix_12
 _twin_individual_twin_matrix_13
 _twin_individual_twin_matrix_21
 _twin_individual_twin_matrix_22
 _twin_individual_twin_matrix_23
 _twin_individual_twin_matrix_31
 _twin_individual_twin_matrix_32
 _twin_individual_twin_matrix_33
 ? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z                    2

_cell_measurement_reflns_used            16205
_cell_measurement_theta_min              2.45
_cell_measurement_theta_max              32.71
_cell_measurement_temperature            293
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            4.6564
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     946

_exptl_absorpt_coefficient_mu            38.57
_exptl_crystal_description               block
_exptl_crystal_size_max                  0.035
_exptl_crystal_size_mid                  0.020
_exptl_crystal_size_min                  0.020
_exptl_crystal_size_rad                  ?
_exptl_crystal_colour                    silver
_exptl_absorpt_correction_type           numerical
_exptl_absorpt_process_details           ?
_exptl_absorpt_correction_T_min          0.453
_exptl_absorpt_correction_T_max          0.467
loop_
 _exptl_crystal_face_index_h
 _exptl_crystal_face_index_k
 _exptl_crystal_face_index_l
 _exptl_crystal_face_perp_dist
 ? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details                   ?

_diffrn_ambient_temperature              293
_diffrn_source                           ?
_diffrn_source_power                     ?
_diffrn_source_voltage                   ?
_diffrn_source_current                   ?
_diffrn_radiation_type                   'Mo K\a'
_diffrn_radiation_source                 'X-ray tube'
_diffrn_radiation_wavelength             0.71073
_diffrn_radiation_monochromator          graphite
_diffrn_measurement_device               'four-circle diffractometer'
_diffrn_measurement_device_type          'IPDS Stoe'
_diffrn_detector                         ?
_diffrn_detector_area_resol_mean         ?
_diffrn_measurement_method               '??integration method??'
_diffrn_measurement_specimen_support     ?

_diffrn_reflns_number                    23798
_diffrn_reflns_theta_min                 2.45
_diffrn_reflns_theta_max                 33.67
_diffrn_reflns_theta_full                33.67
_diffrn_measured_fraction_theta_max      1
_diffrn_measured_fraction_theta_full     1
_diffrn_reflns_av_R_equivalents          0.0915
_diffrn_reflns_av_unetI/netI             0.0268
_diffrn_reflns_limit_h_min               -14
_diffrn_reflns_limit_h_max               14
_diffrn_reflns_limit_k_min               -14
_diffrn_reflns_limit_k_max               14
_diffrn_reflns_limit_l_min               -14
_diffrn_reflns_limit_l_max               14
_diffrn_reflns_reduction_process         ?

_diffrn_standards_number                 ?
_diffrn_standards_interval_count         ?
_diffrn_standards_interval_time          ?
_diffrn_standards_decay_%                ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
  ? ? ?

_diffrn_radiation_probe                  X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details
; ?
;

_reflns_number_total                     610
_reflns_number_gt                        432
_reflns_threshold_expression             'I>3σ(I)'

_refine_ls_structure_factor_coef         Fsqd
_refine_ls_R_factor_gt                   0.0336
_refine_ls_wR_factor_gt                  0.0672
_refine_ls_R_factor_all                  0.0568
_refine_ls_wR_factor_ref                 0.0730
_refine_ls_goodness_of_fit_ref           1.50
_refine_ls_goodness_of_fit_gt            1.65
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 610
_refine_ls_number_parameters             20
_refine_ls_number_restraints             0
_refine_ls_number_constraints            0
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             'w=1/(σ²(I)+0.0004I²)'
_refine_ls_hydrogen_treatment            ?
_refine_ls_shift/su_max                  0.0002
_refine_ls_shift/su_mean                 0.0001
_refine_diff_density_max                 1.69
_refine_diff_density_min                 -1.27
_refine_ls_extinction_method             'none'
_refine_ls_extinction_coef               ?
_refine_ls_abs_structure_details         ?
_refine_ls_abs_structure_Flack           ?
_refine_ls_abs_structure_Rogers          ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 Al   0.0645  0.0514
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Ru  -1.2594  0.8363
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Y   -2.7962  3.5667
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection               ?
_computing_cell_refinement               ?
_computing_data_reduction                ?
_computing_structure_solution            ?
_computing_structure_refinement          ?
_computing_molecular_graphics            ?
_computing_publication_material          ?

loop_
 _restr_distance_atom_site_label_1
 _restr_distance_site_symmetry_1
 _restr_distance_atom_site_label_2
 _restr_distance_site_symmetry_2
 _restr_distance_target
 _restr_distance_target_weight_param
 ? ? ? ? ? ?

loop_
 _restr_angle_atom_site_label_1
 _restr_angle_site_symmetry_1
 _restr_angle_atom_site_label_2
 _restr_angle_site_symmetry_2
 _restr_angle_atom_site_label_3
 _restr_angle_site_symmetry_3
 _restr_angle_target
 _restr_angle_target_weight_param
 ? ? ? ? ? ? ? ?

loop_
 _restr_torsion_atom_site_label_1
 _restr_torsion_site_symmetry_1
 _restr_torsion_atom_site_label_2
 _restr_torsion_site_symmetry_2
 _restr_torsion_atom_site_label_3
 _restr_torsion_site_symmetry_3
 _restr_torsion_atom_site_label_4
 _restr_torsion_site_symmetry_4
 _restr_torsion_angle_target
 _restr_torsion_weight_param
 ? ? ? ? ? ? ? ? ? ?

loop_
 _restr_equal_distance_atom_site_label_1
 _restr_equal_distance_site_symmetry_1
 _restr_equal_distance_atom_site_label_2
 _restr_equal_distance_site_symmetry_2
 _restr_equal_distance_class_class_id
 _restr_equal_distance_class_target_weight_param
 ? ? ? ? ? ?

loop_
 _restr_equal_angle_atom_site_label_1
 _restr_equal_angle_site_symmetry_1
 _restr_equal_angle_atom_site_label_2
 _restr_equal_angle_site_symmetry_2
 _restr_equal_angle_atom_site_label_3
 _restr_equal_angle_site_symmetry_3
 _restr_equal_angle_class_class_id
 _restr_equal_angle_class_target_weight_param
 ? ? ? ? ? ? ? ?

loop_
 _restr_equal_torsion_atom_site_label_1
 _restr_equal_torsion_site_symmetry_1
 _restr_equal_torsion_atom_site_label_2
 _restr_equal_torsion_site_symmetry_2
 _restr_equal_torsion_atom_site_label_3
 _restr_equal_torsion_site_symmetry_3
 _restr_equal_torsion_atom_site_label_4
 _restr_equal_torsion_site_symmetry_4
 _restr_equal_torsion_class_class_id
 _restr_equal_torsion_class_target_weight_param
 ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  Y1 Y 0.20785(5) 0.41570(9) 0.05909(7) Uani 0.0205(2) 12 1 d . . .
  Y2 Y 0.54048(7) 0.08095(14) 0.25 Uani 0.0223(3) 6 1 d . . .
  Y3 Y 0 0 0 Uani 0.0256(5) 2 1 d . . .
  Ru Ru 0.333333 0.666667 0.25 Uani 0.0206(3) 2 1 d . . .
  Al Al 0.2257(5) 0.1128(2) 0.25 Uani 0.0263(12) 6 1 d . . .


loop_
 _jana_atom_site_ADP_C_label
 _jana_atom_site_ADP_C_type_symbol
 _jana_atom_site_ADP_C_111
 _jana_atom_site_ADP_C_112
 _jana_atom_site_ADP_C_113
 _jana_atom_site_ADP_C_122
 _jana_atom_site_ADP_C_123
 _jana_atom_site_ADP_C_133
 _jana_atom_site_ADP_C_222
 _jana_atom_site_ADP_C_223
 _jana_atom_site_ADP_C_233
 _jana_atom_site_ADP_C_333
 ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_D_label
 _jana_atom_site_ADP_D_type_symbol
 _jana_atom_site_ADP_D_1111
 _jana_atom_site_ADP_D_1112
 _jana_atom_site_ADP_D_1113
 _jana_atom_site_ADP_D_1122
 _jana_atom_site_ADP_D_1123
 _jana_atom_site_ADP_D_1133
 _jana_atom_site_ADP_D_1222
 _jana_atom_site_ADP_D_1223
 _jana_atom_site_ADP_D_1233
 _jana_atom_site_ADP_D_1333
 _jana_atom_site_ADP_D_2222
 _jana_atom_site_ADP_D_2223
 _jana_atom_site_ADP_D_2233
 _jana_atom_site_ADP_D_2333
 _jana_atom_site_ADP_D_3333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_E_label
 _jana_atom_site_ADP_E_type_symbol
 _jana_atom_site_ADP_E_11111
 _jana_atom_site_ADP_E_11112
 _jana_atom_site_ADP_E_11113
 _jana_atom_site_ADP_E_11122
 _jana_atom_site_ADP_E_11123
 _jana_atom_site_ADP_E_11133
 _jana_atom_site_ADP_E_11222
 _jana_atom_site_ADP_E_11223
 _jana_atom_site_ADP_E_11233
 _jana_atom_site_ADP_E_11333
 _jana_atom_site_ADP_E_12222
 _jana_atom_site_ADP_E_12223
 _jana_atom_site_ADP_E_12233
 _jana_atom_site_ADP_E_12333
 _jana_atom_site_ADP_E_13333
 _jana_atom_site_ADP_E_22222
 _jana_atom_site_ADP_E_22223
 _jana_atom_site_ADP_E_22233
 _jana_atom_site_ADP_E_22333
 _jana_atom_site_ADP_E_23333
 _jana_atom_site_ADP_E_33333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_F_label
 _jana_atom_site_ADP_F_type_symbol
 _jana_atom_site_ADP_F_111111
 _jana_atom_site_ADP_F_111112
 _jana_atom_site_ADP_F_111113
 _jana_atom_site_ADP_F_111122
 _jana_atom_site_ADP_F_111123
 _jana_atom_site_ADP_F_111133
 _jana_atom_site_ADP_F_111222
 _jana_atom_site_ADP_F_111223
 _jana_atom_site_ADP_F_111233
 _jana_atom_site_ADP_F_111333
 _jana_atom_site_ADP_F_112222
 _jana_atom_site_ADP_F_112223
 _jana_atom_site_ADP_F_112233
 _jana_atom_site_ADP_F_112333
 _jana_atom_site_ADP_F_113333
 _jana_atom_site_ADP_F_122222
 _jana_atom_site_ADP_F_122223
 _jana_atom_site_ADP_F_122233
 _jana_atom_site_ADP_F_122333
 _jana_atom_site_ADP_F_123333
 _jana_atom_site_ADP_F_133333
 _jana_atom_site_ADP_F_222222
 _jana_atom_site_ADP_F_222223
 _jana_atom_site_ADP_F_222233
 _jana_atom_site_ADP_F_222333
 _jana_atom_site_ADP_F_223333
 _jana_atom_site_ADP_F_233333
 _jana_atom_site_ADP_F_333333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_1
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
  Y1 Y1 . 2_665 3.6097(9) ?
  Y1 Y1 . 3_565 3.6097(12) ?
  Y1 Y1 . 7_555 3.6335(12) ?
  Y1 Y1 . 9_555 3.6335(7) ?
  Y1 Y1 . 11_555 3.6632(10) ?
  Y1 Y2 . 2_555 3.5162(15) ?
  Y1 Y2 . 3_665 3.5162(14) ?
  Y1 Y2 . 5_564 3.6280(13) ?
  Y1 Y2 . 6_554 3.6280(10) ?
  Y1 Y3 . . 3.4983(8) ?
  Y1 Ru . . 2.7745(8) ?
  Y1 Al . . 3.509(3) ?
  Y1 Al . 2_555 3.509(2) ?
  Y1 Al . 6_554 3.3592(19) ?
  Y2 Y2 . 2_655 3.6300(13) ?
  Y2 Y2 . 3_665 3.6300(17) ?
  Y2 Ru . 1_545 3.4403(12) ?
  Y2 Al . . 3.182(5) ?
  Y2 Al . 2_655 3.183(3) ?
  Y3 Al . . 3.044(2) ?
  Y3 Al . 2_555 3.044(3) ?
  Y3 Al . 3_555 3.044(2) ?
  Y3 Al . 4_554 3.044(2) ?
  Y3 Al . 5_554 3.044(3) ?
  Y3 Al . 6_554 3.044(2) ?
  Al Al . 2_555 3.246(6) ?
  Al Al . 3_555 3.246(4) ?

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_2
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
  Y1 Y1 Y1 2_665 . 3_565 60.00(3) ?
  Y1 Y1 Y1 2_665 . 7_555 90.00(2) ?
  Y1 Y1 Y1 2_665 . 9_555 145.36(3) ?
  Y1 Y1 Y1 2_665 . 11_555 90.00(2) ?
  Y1 Y1 Y2 2_665 . 2_555 109.51(3) ?
  Y1 Y1 Y2 2_665 . 3_665 59.12(2) ?
  Y1 Y1 Y2 2_665 . 5_564 90.16(3) ?
  Y1 Y1 Y2 2_665 . 6_554 60.166(17) ?
  Y1 Y1 Y3 2_665 . . 148.71(3) ?
  Y1 Y1 Ru 2_665 . . 49.420(16) ?
  Y1 Y1 Al 2_665 . . 112.92(6) ?
  Y1 Y1 Al 2_665 . 2_555 148.42(4) ?
  Y1 Y1 Al 2_665 . 6_554 114.01(6) ?
  Y1 Y1 Y1 3_565 . 7_555 145.36(2) ?
  Y1 Y1 Y1 3_565 . 9_555 90.00(3) ?
  Y1 Y1 Y1 3_565 . 11_555 90.00(3) ?
  Y1 Y1 Y2 3_565 . 2_555 59.12(3) ?
  Y1 Y1 Y2 3_565 . 3_665 109.51(2) ?
  Y1 Y1 Y2 3_565 . 5_564 60.17(3) ?
  Y1 Y1 Y2 3_565 . 6_554 90.16(3) ?
  Y1 Y1 Y3 3_565 . . 148.71(2) ?
  Y1 Y1 Ru 3_565 . . 49.420(19) ?
  Y1 Y1 Al 3_565 . . 148.42(3) ?
  Y1 Y1 Al 3_565 . 2_555 112.92(8) ?
  Y1 Y1 Al 3_565 . 6_554 114.01(9) ?
  Y1 Y1 Y1 7_555 . 9_555 110.73(3) ?
  Y1 Y1 Y1 7_555 . 11_555 108.18(3) ?
  Y1 Y1 Y2 7_555 . 2_555 155.35(3) ?
  Y1 Y1 Y2 7_555 . 3_665 60.96(2) ?
  Y1 Y1 Y2 7_555 . 5_564 106.99(3) ?
  Y1 Y1 Y2 7_555 . 6_554 57.92(2) ?
  Y1 Y1 Y3 7_555 . . 58.713(16) ?
  Y1 Y1 Ru 7_555 . . 124.25(2) ?
  Y1 Y1 Al 7_555 . . 56.08(5) ?
  Y1 Y1 Al 7_555 . 2_555 101.71(8) ?
  Y1 Y1 Al 7_555 . 6_554 60.09(10) ?
  Y1 Y1 Y1 9_555 . 11_555 108.18(2) ?
  Y1 Y1 Y2 9_555 . 2_555 60.96(2) ?
  Y1 Y1 Y2 9_555 . 3_665 155.35(3) ?
  Y1 Y1 Y2 9_555 . 5_564 57.92(2) ?
  Y1 Y1 Y2 9_555 . 6_554 106.99(3) ?
  Y1 Y1 Y3 9_555 . . 58.713(18) ?
  Y1 Y1 Ru 9_555 . . 124.25(3) ?
  Y1 Y1 Al 9_555 . . 101.71(6) ?
  Y1 Y1 Al 9_555 . 2_555 56.08(3) ?
  Y1 Y1 Al 9_555 . 6_554 60.09(8) ?
  Y1 Y1 Y2 11_555 . 2_555 58.61(2) ?
  Y1 Y1 Y2 11_555 . 3_665 58.61(2) ?
  Y1 Y1 Y2 11_555 . 5_564 144.83(4) ?
  Y1 Y1 Y2 11_555 . 6_554 144.83(3) ?
  Y1 Y1 Y3 11_555 . . 99.33(2) ?
  Y1 Y1 Ru 11_555 . . 48.689(16) ?
  Y1 Y1 Al 11_555 . . 58.54(3) ?
  Y1 Y1 Al 11_555 . 2_555 58.54(3) ?
  Y1 Y1 Al 11_555 . 6_554 151.98(6) ?
  Y2 Y1 Y2 2_555 . 3_665 115.84(3) ?
  Y2 Y1 Y2 2_555 . 5_564 88.41(3) ?
  Y2 Y1 Y2 2_555 . 6_554 145.10(4) ?
  Y2 Y1 Y3 2_555 . . 100.75(2) ?
  Y2 Y1 Ru 2_555 . . 65.06(2) ?
  Y2 Y1 Al 2_555 . . 101.20(6) ?
  Y2 Y1 Al 2_555 . 2_555 53.87(8) ?
  Y2 Y1 Al 2_555 . 6_554 120.56(9) ?
  Y2 Y1 Y2 3_665 . 5_564 145.10(2) ?
  Y2 Y1 Y2 3_665 . 6_554 88.41(3) ?
  Y2 Y1 Y3 3_665 . . 100.75(3) ?
  Y2 Y1 Ru 3_665 . . 65.064(18) ?
  Y2 Y1 Al 3_665 . . 53.87(5) ?
  Y2 Y1 Al 3_665 . 2_555 101.20(5) ?
  Y2 Y1 Al 3_665 . 6_554 120.56(10) ?
  Y2 Y1 Y2 5_564 . 6_554 60.04(3) ?
  Y2 Y1 Y3 5_564 . . 98.59(2) ?
  Y2 Y1 Ru 5_564 . . 108.97(3) ?
  Y2 Y1 Al 5_564 . . 149.62(4) ?
  Y2 Y1 Al 5_564 . 2_555 113.58(4) ?
  Y2 Y1 Al 5_564 . 6_554 54.03(9) ?
  Y2 Y1 Y3 6_554 . . 98.59(2) ?
  Y2 Y1 Ru 6_554 . . 108.970(18) ?
  Y2 Y1 Al 6_554 . . 113.58(6) ?
  Y2 Y1 Al 6_554 . 2_555 149.62(6) ?
  Y2 Y1 Al 6_554 . 6_554 54.02(6) ?
  Y3 Y1 Ru . . . 148.02(3) ?
  Y3 Y1 Al . . . 51.49(3) ?
  Y3 Y1 Al . . 2_555 51.49(6) ?
  Y3 Y1 Al . . 6_554 52.65(6) ?
  Ru Y1 Al . . . 101.17(3) ?
  Ru Y1 Al . . 2_555 101.17(5) ?
  Ru Y1 Al . . 6_554 159.33(6) ?
  Al Y1 Al . . 2_555 55.10(9) ?
  Al Y1 Al . . 6_554 97.13(8) ?
  Al Y1 Al 2_555 . 6_554 97.13(6) ?
  Y1 Y2 Y1 2_655 . 3_555 61.77(3) ?
  Y1 Y2 Y1 2_655 . 5_555 151.55(3) ?
  Y1 Y2 Y1 2_655 . 6_655 111.62(4) ?
  Y1 Y2 Y1 2_655 . 7_555 91.586(19) ?
  Y1 Y2 Y1 2_655 . 9_655 61.12(2) ?
  Y1 Y2 Y1 2_655 . 10_655 62.78(3) ?
  Y1 Y2 Y1 2_655 . 12_555 93.99(3) ?
  Y1 Y2 Y2 2_655 . 2_655 109.51(3) ?
  Y1 Y2 Y2 2_655 . 3_665 147.922(18) ?
  Y1 Y2 Ru 2_655 . 1_545 47.00(2) ?
  Y1 Y2 Al 2_655 . . 124.63(3) ?
  Y1 Y2 Al 2_655 . 2_655 62.95(7) ?
  Y1 Y2 Y1 3_555 . 5_555 111.63(3) ?
  Y1 Y2 Y1 3_555 . 6_655 151.55(3) ?
  Y1 Y2 Y1 3_555 . 7_555 61.117(14) ?
  Y1 Y2 Y1 3_555 . 9_655 91.586(17) ?
  Y1 Y2 Y1 3_555 . 10_655 93.99(3) ?
  Y1 Y2 Y1 3_555 . 12_555 62.785(19) ?
  Y1 Y2 Y2 3_555 . 2_655 147.922(17) ?
  Y1 Y2 Y2 3_555 . 3_665 109.51(3) ?
  Y1 Y2 Ru 3_555 . 1_545 46.995(16) ?
  Y1 Y2 Al 3_555 . . 62.95(3) ?
  Y1 Y2 Al 3_555 . 2_655 124.63(7) ?
  Y1 Y2 Y1 5_555 . 6_655 59.67(2) ?
  Y1 Y2 Y1 5_555 . 7_555 109.65(4) ?
  Y1 Y2 Y1 5_555 . 9_655 146.23(4) ?
  Y1 Y2 Y1 5_555 . 10_655 91.59(2) ?
  Y1 Y2 Y1 5_555 . 12_555 61.12(2) ?
  Y1 Y2 Y2 5_555 . 2_655 89.84(3) ?
  Y1 Y2 Y2 5_555 . 3_665 59.98(3) ?
  Y1 Y2 Ru 5_555 . 1_545 106.885(18) ?
  Y1 Y2 Al 5_555 . . 58.67(2) ?
  Y1 Y2 Al 5_555 . 2_655 118.14(3) ?
  Y1 Y2 Y1 6_655 . 7_555 146.23(4) ?
  Y1 Y2 Y1 6_655 . 9_655 109.65(2) ?
  Y1 Y2 Y1 6_655 . 10_655 61.117(17) ?
  Y1 Y2 Y1 6_655 . 12_555 91.586(16) ?
  Y1 Y2 Y2 6_655 . 2_655 59.981(15) ?
  Y1 Y2 Y2 6_655 . 3_665 89.84(3) ?
  Y1 Y2 Ru 6_655 . 1_545 106.89(3) ?
  Y1 Y2 Al 6_655 . . 118.14(3) ?
  Y1 Y2 Al 6_655 . 2_655 58.67(3) ?
  Y1 Y2 Y1 7_555 . 9_655 59.667(19) ?
  Y1 Y2 Y1 7_555 . 10_655 151.55(3) ?
  Y1 Y2 Y1 7_555 . 12_555 111.63(2) ?
  Y1 Y2 Y2 7_555 . 2_655 89.84(3) ?
  Y1 Y2 Y2 7_555 . 3_665 59.98(2) ?
  Y1 Y2 Ru 7_555 . 1_545 106.885(14) ?
  Y1 Y2 Al 7_555 . . 58.67(2) ?
  Y1 Y2 Al 7_555 . 2_655 118.14(3) ?
  Y1 Y2 Y1 9_655 . 10_655 111.62(4) ?
  Y1 Y2 Y1 9_655 . 12_555 151.55(3) ?
  Y1 Y2 Y2 9_655 . 2_655 59.981(17) ?
  Y1 Y2 Y2 9_655 . 3_665 89.84(3) ?
  Y1 Y2 Ru 9_655 . 1_545 106.88(3) ?
  Y1 Y2 Al 9_655 . . 118.14(3) ?
  Y1 Y2 Al 9_655 . 2_655 58.67(3) ?
  Y1 Y2 Y1 10_655 . 12_555 61.77(2) ?
  Y1 Y2 Y2 10_655 . 2_655 109.51(3) ?
  Y1 Y2 Y2 10_655 . 3_665 147.922(16) ?
  Y1 Y2 Ru 10_655 . 1_545 46.995(19) ?
  Y1 Y2 Al 10_655 . . 124.63(3) ?
  Y1 Y2 Al 10_655 . 2_655 62.95(7) ?
  Y1 Y2 Y2 12_555 . 2_655 147.922(18) ?
  Y1 Y2 Y2 12_555 . 3_665 109.51(4) ?
  Y1 Y2 Ru 12_555 . 1_545 46.995(19) ?
  Y1 Y2 Al 12_555 . . 62.95(3) ?
  Y1 Y2 Al 12_555 . 2_655 124.63(7) ?
  Y2 Y2 Y2 2_655 . 3_665 60.00(4) ?
  Y2 Y2 Ru 2_655 . 1_545 150.00(5) ?
  Y2 Y2 Al 2_655 . . 115.23(6) ?
  Y2 Y2 Al 2_655 . 2_655 55.23(8) ?
  Y2 Y2 Ru 3_665 . 1_545 150.00(3) ?
  Y2 Y2 Al 3_665 . . 55.23(4) ?
  Y2 Y2 Al 3_665 . 2_655 115.23(9) ?
  Ru Y2 Al 1_545 . . 94.77(4) ?
  Ru Y2 Al 1_545 . 2_655 94.77(9) ?
  Al Y2 Al . . 2_655 170.46(10) ?
  Y1 Y3 Y1 . . 2_555 117.43(2) ?
  Y1 Y3 Y1 . . 3_555 117.426(14) ?
  Y1 Y3 Y1 . . 7_555 62.574(14) ?
  Y1 Y3 Y1 . . 8_555 180.0(5) ?
  Y1 Y3 Y1 . . 9_555 62.574(15) ?
  Y1 Y3 Al . . . 64.44(5) ?
  Y1 Y3 Al . . 2_555 64.44(7) ?
  Y1 Y3 Al . . 3_555 118.67(6) ?
  Y1 Y3 Al . . 4_554 115.56(5) ?
  Y1 Y3 Al . . 5_554 115.56(7) ?
  Y1 Y3 Al . . 6_554 61.33(6) ?
  Y1 Y3 Y1 2_555 . 3_555 117.43(2) ?
  Y1 Y3 Y1 2_555 . 7_555 180.0(5) ?
  Y1 Y3 Y1 2_555 . 8_555 62.57(2) ?
  Y1 Y3 Y1 2_555 . 9_555 62.57(2) ?
  Y1 Y3 Al 2_555 . . 118.67(6) ?
  Y1 Y3 Al 2_555 . 2_555 64.44(4) ?
  Y1 Y3 Al 2_555 . 3_555 64.44(9) ?
  Y1 Y3 Al 2_555 . 4_554 61.33(6) ?
  Y1 Y3 Al 2_555 . 5_554 115.56(4) ?
  Y1 Y3 Al 2_555 . 6_554 115.56(9) ?
  Y1 Y3 Y1 3_555 . 7_555 62.574(15) ?
  Y1 Y3 Y1 3_555 . 8_555 62.57(2) ?
  Y1 Y3 Y1 3_555 . 9_555 180.0(5) ?
  Y1 Y3 Al 3_555 . . 64.44(7) ?
  Y1 Y3 Al 3_555 . 2_555 118.67(7) ?
  Y1 Y3 Al 3_555 . 3_555 64.44(10) ?
  Y1 Y3 Al 3_555 . 4_554 115.56(7) ?
  Y1 Y3 Al 3_555 . 5_554 61.33(7) ?
  Y1 Y3 Al 3_555 . 6_554 115.56(10) ?
  Y1 Y3 Y1 7_555 . 8_555 117.43(2) ?
  Y1 Y3 Y1 7_555 . 9_555 117.426(14) ?
  Y1 Y3 Al 7_555 . . 61.33(6) ?
  Y1 Y3 Al 7_555 . 2_555 115.56(4) ?
  Y1 Y3 Al 7_555 . 3_555 115.56(9) ?
  Y1 Y3 Al 7_555 . 4_554 118.67(6) ?
  Y1 Y3 Al 7_555 . 5_554 64.44(4) ?
  Y1 Y3 Al 7_555 . 6_554 64.44(9) ?
  Y1 Y3 Y1 8_555 . 9_555 117.43(2) ?
  Y1 Y3 Al 8_555 . . 115.56(5) ?
  Y1 Y3 Al 8_555 . 2_555 115.56(7) ?
  Y1 Y3 Al 8_555 . 3_555 61.33(6) ?
  Y1 Y3 Al 8_555 . 4_554 64.44(5) ?
  Y1 Y3 Al 8_555 . 5_554 64.44(7) ?
  Y1 Y3 Al 8_555 . 6_554 118.67(6) ?
  Y1 Y3 Al 9_555 . . 115.56(7) ?
  Y1 Y3 Al 9_555 . 2_555 61.33(7) ?
  Y1 Y3 Al 9_555 . 3_555 115.56(10) ?
  Y1 Y3 Al 9_555 . 4_554 64.44(7) ?
  Y1 Y3 Al 9_555 . 5_554 118.67(7) ?
  Y1 Y3 Al 9_555 . 6_554 64.44(10) ?
  Al Y3 Al . . 2_555 64.44(8) ?
  Al Y3 Al . . 3_555 64.44(7) ?
  Al Y3 Al . . 4_554 180.0(5) ?
  Al Y3 Al . . 5_554 115.56(8) ?
  Al Y3 Al . . 6_554 115.56(7) ?
  Al Y3 Al 2_555 . 3_555 64.44(12) ?
  Al Y3 Al 2_555 . 4_554 115.56(8) ?
  Al Y3 Al 2_555 . 5_554 180.0(5) ?
  Al Y3 Al 2_555 . 6_554 115.56(12) ?
  Al Y3 Al 3_555 . 4_554 115.56(7) ?
  Al Y3 Al 3_555 . 5_554 115.56(12) ?
  Al Y3 Al 3_555 . 6_554 180.0(5) ?
  Al Y3 Al 4_554 . 5_554 64.44(8) ?
  Al Y3 Al 4_554 . 6_554 64.44(7) ?
  Al Y3 Al 5_554 . 6_554 64.44(12) ?
  Y1 Ru Y1 . . 2_665 81.160(19) ?
  Y1 Ru Y1 . . 3_565 81.16(2) ?
  Y1 Ru Y1 . . 10_665 135.88(2) ?
  Y1 Ru Y1 . . 11_555 82.62(2) ?
  Y1 Ru Y1 . . 12_565 135.881(14) ?
  Y1 Ru Y2 . . 1_565 138.689(15) ?
  Y1 Ru Y2 . . 2_555 67.94(2) ?
  Y1 Ru Y2 . . 3_665 67.940(18) ?
  Y1 Ru Y1 2_665 . 3_565 81.16(3) ?
  Y1 Ru Y1 2_665 . 10_665 82.62(2) ?
  Y1 Ru Y1 2_665 . 11_555 135.88(3) ?
  Y1 Ru Y1 2_665 . 12_565 135.88(2) ?
  Y1 Ru Y2 2_665 . 1_565 67.94(2) ?
  Y1 Ru Y2 2_665 . 2_555 138.689(15) ?
  Y1 Ru Y2 2_665 . 3_665 67.94(3) ?
  Y1 Ru Y1 3_565 . 10_665 135.881(14) ?
  Y1 Ru Y1 3_565 . 11_555 135.88(2) ?
  Y1 Ru Y1 3_565 . 12_565 82.62(2) ?
  Y1 Ru Y2 3_565 . 1_565 67.941(14) ?
  Y1 Ru Y2 3_565 . 2_555 67.94(2) ?
  Y1 Ru Y2 3_565 . 3_665 138.689(17) ?
  Y1 Ru Y1 10_665 . 11_555 81.160(19) ?
  Y1 Ru Y1 10_665 . 12_565 81.16(2) ?
  Y1 Ru Y2 10_665 . 1_565 67.941(15) ?
  Y1 Ru Y2 10_665 . 2_555 138.689(15) ?
  Y1 Ru Y2 10_665 . 3_665 67.940(18) ?
  Y1 Ru Y1 11_555 . 12_565 81.16(3) ?
  Y1 Ru Y2 11_555 . 1_565 138.689(15) ?
  Y1 Ru Y2 11_555 . 2_555 67.94(3) ?
  Y1 Ru Y2 11_555 . 3_665 67.94(3) ?
  Y1 Ru Y2 12_565 . 1_565 67.940(18) ?
  Y1 Ru Y2 12_565 . 2_555 67.94(2) ?
  Y1 Ru Y2 12_565 . 3_665 138.689(17) ?
  Y2 Ru Y2 1_565 . 2_555 120.00(3) ?
  Y2 Ru Y2 1_565 . 3_665 120.00(2) ?
  Y2 Ru Y2 2_555 . 3_665 120.00(3) ?
  Y1 Al Y1 . . 3_555 116.845(19) ?
  Y1 Al Y1 . . 5_555 118.72(6) ?
  Y1 Al Y1 . . 7_555 63.83(3) ?
  Y1 Al Y1 . . 11_555 62.93(6) ?
  Y1 Al Y1 . . 12_555 175.17(12) ?
  Y1 Al Y2 . . . 121.37(7) ?
  Y1 Al Y2 . . 3_665 63.18(4) ?
  Y1 Al Y3 . . . 64.07(5) ?
  Y1 Al Y3 . . 4_555 112.66(13) ?
  Y1 Al Al . . 2_555 62.45(9) ?
  Y1 Al Al . . 3_555 112.92(14) ?
  Y1 Al Y1 3_555 . 5_555 118.72(11) ?
  Y1 Al Y1 3_555 . 7_555 63.83(4) ?
  Y1 Al Y1 3_555 . 11_555 175.17(12) ?
  Y1 Al Y1 3_555 . 12_555 62.93(5) ?
  Y1 Al Y2 3_555 . . 63.18(7) ?
  Y1 Al Y2 3_555 . 3_665 121.37(11) ?
  Y1 Al Y3 3_555 . . 64.07(3) ?
  Y1 Al Y3 3_555 . 4_555 112.66(5) ?
  Y1 Al Al 3_555 . 2_555 112.92(9) ?
  Y1 Al Al 3_555 . 3_555 62.45(9) ?
  Y1 Al Y1 5_555 . 7_555 123.96(12) ?
  Y1 Al Y1 5_555 . 11_555 63.83(3) ?
  Y1 Al Y1 5_555 . 12_555 63.83(5) ?
  Y1 Al Y2 5_555 . . 67.30(7) ?
  Y1 Al Y2 5_555 . 3_665 67.30(5) ?
  Y1 Al Y3 5_555 . . 170.02(11) ?
  Y1 Al Y3 5_555 . 4_555 66.019(13) ?
  Y1 Al Al 5_555 . 2_555 114.01(8) ?
  Y1 Al Al 5_555 . 3_555 114.01(4) ?
  Y1 Al Y1 7_555 . 11_555 118.72(6) ?
  Y1 Al Y1 7_555 . 12_555 118.72(11) ?
  Y1 Al Y2 7_555 . . 67.30(7) ?
  Y1 Al Y2 7_555 . 3_665 67.30(5) ?
  Y1 Al Y3 7_555 . . 66.019(13) ?
  Y1 Al Y3 7_555 . 4_555 170.02(11) ?
  Y1 Al Al 7_555 . 2_555 114.01(8) ?
  Y1 Al Al 7_555 . 3_555 114.01(4) ?
  Y1 Al Y1 11_555 . 12_555 116.85(2) ?
  Y1 Al Y2 11_555 . . 121.37(7) ?
  Y1 Al Y2 11_555 . 3_665 63.18(4) ?
  Y1 Al Y3 11_555 . . 112.66(13) ?
  Y1 Al Y3 11_555 . 4_555 64.07(5) ?
  Y1 Al Al 11_555 . 2_555 62.45(9) ?
  Y1 Al Al 11_555 . 3_555 112.92(14) ?
  Y1 Al Y2 12_555 . . 63.18(7) ?
  Y1 Al Y2 12_555 . 3_665 121.37(11) ?
  Y1 Al Y3 12_555 . . 112.66(5) ?
  Y1 Al Y3 12_555 . 4_555 64.07(3) ?
  Y1 Al Al 12_555 . 2_555 112.92(9) ?
  Y1 Al Al 12_555 . 3_555 62.45(9) ?
  Y2 Al Y2 . . 3_665 69.54(8) ?
  Y2 Al Y3 . . . 120.38(8) ?
  Y2 Al Y3 . . 4_555 120.38(8) ?
  Y2 Al Al . . 2_555 175.23(10) ?
  Y2 Al Al . . 3_555 115.23(14) ?
  Y2 Al Y3 3_665 . . 120.38(4) ?
  Y2 Al Y3 3_665 . 4_555 120.38(4) ?
  Y2 Al Al 3_665 . 2_555 115.23(13) ?
  Y2 Al Al 3_665 . 3_555 175.23(18) ?
  Y3 Al Y3 . . 4_555 104.00(11) ?
  Y3 Al Al . . 2_555 57.78(8) ?
  Y3 Al Al . . 3_555 57.78(6) ?
  Y3 Al Al 4_555 . 2_555 57.78(8) ?
  Y3 Al Al 4_555 . 3_555 57.78(6) ?
  Al Al Al 2_555 . 3_555 60.00(14) ?

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_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion
 _geom_torsion_publ_flag
 ? ? ? ? ? ? ? ? ? ?

loop_
 _geom_hbond_atom_site_label_D
 _geom_hbond_atom_site_label_H
 _geom_hbond_atom_site_label_A
 _geom_hbond_site_symmetry_D
 _geom_hbond_site_symmetry_H
 _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
 ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST



