#------------------------------------------------------------------------------
#$Date: 2015-12-09 13:24:03 +0100 (Wed 09 de Dec de 2015) $
#$Revision: 171017 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/17/7221798.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_7221798
loop_
_publ_author_name
'Han, Zhan-Gang'
'Liu, Yun-Ping'
'Zhao, Xiao-Fang'
'Yan, Jin-Shuang'
'Zhai, Xue-Liang'
_publ_section_title
;
 Polyanionic clusters embedded in lattice-type hydrogen bonding networks
 involving in situ bond activation and coupling of organic cations
;
_journal_issue                   38
_journal_name_full               CrystEngComm
_journal_page_first              7339
_journal_paper_doi               10.1039/C5CE01220A
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C52 H44 Al Co N8 O43 W12'
_chemical_formula_weight         3761.04
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-08-11 deposited with the CCDC.
2015-08-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.207(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.610(3)
_cell_length_b                   21.283(3)
_cell_length_c                   16.8259(19)
_cell_measurement_reflns_used    3916
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.16
_cell_measurement_theta_min      2.66
_cell_volume                     7639.0(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0424
_diffrn_reflns_av_unetI/netI     0.0506
_diffrn_reflns_laue_measured_fraction_full 0.972
_diffrn_reflns_laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            19118
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         1.914
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    18.307
_exptl_absorpt_correction_T_max  0.093
_exptl_absorpt_correction_T_min  0.056
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    3.269
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6728
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.360
_refine_diff_density_min         -2.354
_refine_diff_density_rms         0.318
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         6724
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0730
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0324P)²+1764.0109P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1670
_refine_ls_wR_factor_ref         0.1759
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5379
_reflns_number_total             6724
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ce01220a2.cif
_cod_data_source_block           1405996
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7221797--7221798.cif.
;
_cod_original_cell_volume        7638.9(16)
_cod_database_code               7221798
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
O2W O 0.932(6) 0.519(6) 0.620(7) 0.22(5) Uiso 0.5 1 d . . P
O1W O 0.977(6) 0.517(6) 0.920(7) 0.23(5) Uiso 0.5 1 d . . P
W1 W 0.62431(5) 0.68731(6) 1.08389(6) 0.0380(3) Uani 1 1 d . . .
W2 W 0.73717(5) 0.89317(5) 1.09909(8) 0.0460(3) Uani 1 1 d . . .
W3 W 0.73135(5) 0.89075(5) 0.89060(6) 0.0369(3) Uani 1 1 d . . .
W4 W 0.62049(5) 0.68909(5) 0.87524(8) 0.0462(3) Uani 1 1 d . . .
W5 W 0.60675(5) 0.82976(6) 0.97641(7) 0.0416(3) Uani 1 1 d . . .
W6 W 0.74585(5) 0.74839(6) 0.79194(6) 0.0435(3) Uani 1 1 d . . .
Al1 Al 0.7500 0.7500 1.0000 0.027(2) Uani 1 2 d S . P
Co1 Co 0.5000 0.5863(2) 0.7500 0.0218(9) Uani 1 2 d S T P
O1 O 0.7447(10) 0.7486(11) 0.6937(12) 0.063(6) Uani 1 1 d . . .
O2 O 0.8310(10) 0.7722(13) 0.8250(17) 0.094(10) Uani 1 1 d . . .
O3 O 0.7193(11) 0.8301(14) 0.8065(16) 0.099(11) Uani 1 1 d . . .
O4 O 0.8178(9) 0.8796(12) 0.9001(15) 0.082(9) Uani 1 1 d . . .
O5 O 0.7217(12) 0.9581(11) 0.8383(15) 0.086(9) Uani 1 1 d . . .
O6 O 0.7463(11) 0.9229(15) 0.9970(13) 0.092(10) Uani 1 1 d . . .
O7 O 0.7300(11) 0.9602(10) 1.1470(14) 0.068(7) Uani 1 1 d . . .
O8 O 0.6523(10) 0.8749(15) 1.0630(12) 0.087(9) Uani 1 1 d . . .
O9 O 0.7275(12) 0.8343(16) 1.181(3) 0.156(19) Uani 1 1 d . . .
O10 O 0.5366(8) 0.8667(12) 0.9636(11) 0.058(6) Uani 1 1 d . . .
O11 O 0.5891(17) 0.7671(10) 0.8954(13) 0.105(12) Uani 1 1 d . . .
O12 O 0.5567(7) 0.6562(8) 0.8164(9) 0.033(4) Uani 1 1 d . . .
O13 O 0.6613(11) 0.7250(14) 0.796(2) 0.132(15) Uani 1 1 d . . .
O14 O 0.7235(13) 0.7068(14) 0.9070(17) 0.024(3) Uani 0.5 1 d . . P
O15 O 0.6677(13) 0.7415(14) 0.9898(16) 0.024(3) Uani 0.5 1 d . . P
O16 O 0.7289(13) 0.7084(14) 1.0769(17) 0.024(3) Uani 0.5 1 d . . P
O17 O 0.5644(11) 0.6594(11) 1.1245(19) 0.086(9) Uani 1 1 d . . .
O18 O 0.7870(13) 0.6757(14) 1.0143(17) 0.024(3) Uani 0.5 1 d . . P
O19 O 0.6470(11) 0.8765(15) 0.9021(14) 0.095(10) Uani 1 1 d . . .
O20 O 0.5937(19) 0.7696(10) 1.0524(13) 0.116(13) Uani 1 1 d . . .
O21 O 0.6028(17) 0.6603(10) 0.9810(15) 0.107(12) Uani 1 1 d . . .
O22 O 0.6759(10) 0.6211(15) 0.881(2) 0.123(14) Uani 1 1 d . . .
C1 C 0.6276(10) 0.4194(13) 1.1879(15) 0.038(6) Uani 1 1 d . . .
H1 H 0.6397 0.4344 1.2400 0.046 Uiso 1 1 calc R U .
C2 C 0.6727(13) 0.4126(14) 1.1418(15) 0.046(5) Uani 1 1 d . . .
H2 H 0.7136 0.4244 1.1618 0.055 Uiso 1 1 calc R U .
C3 C 0.5544(14) 0.3802(13) 1.0937(18) 0.047(7) Uani 1 1 d . . .
H3 H 0.5139 0.3657 1.0770 0.056 Uiso 1 1 calc R U .
C4 C 0.5970(13) 0.3719(14) 1.0401(16) 0.046(5) Uani 1 1 d . . .
H4 H 0.5839 0.3557 0.9888 0.055 Uiso 1 1 calc R U .
C5 C 0.6585(11) 0.3880(13) 1.0650(17) 0.040(6) Uani 1 1 d . . .
C6 C 0.7073(13) 0.3784(16) 1.0153(18) 0.054(8) Uani 1 1 d . . .
C7 C 0.7640(15) 0.3485(16) 1.0510(19) 0.059(9) Uani 1 1 d . . .
H7 H 0.7689 0.3373 1.1050 0.071 Uiso 1 1 calc R U .
C8 C 0.8125(12) 0.3353(15) 1.0075(16) 0.045(3) Uani 1 1 d . . .
C9 C 0.8086(11) 0.3578(16) 0.9315(16) 0.047(7) Uani 1 1 d . . .
C10 C 0.7558(11) 0.3914(13) 0.8960(15) 0.038(6) Uani 1 1 d . . .
H10 H 0.7537 0.4065 0.8438 0.045 Uiso 1 1 calc R U .
C11 C 0.7057(12) 0.4027(15) 0.9380(16) 0.045(3) Uani 1 1 d . . .
C12 C 0.5785(12) 0.5228(11) 0.8926(16) 0.036(6) Uani 1 1 d . . .
H12 H 0.5628 0.5562 0.9191 0.043 Uiso 1 1 calc R U .
C13 C 0.6237(12) 0.4876(11) 0.9350(15) 0.036(6) Uani 1 1 d . . .
H13 H 0.6363 0.4955 0.9896 0.043 Uiso 1 1 calc R U .
C14 C 0.6520(12) 0.4395(15) 0.8982(16) 0.045(3) Uani 1 1 d . . .
C15 C 0.6267(13) 0.4287(13) 0.8171(17) 0.047(7) Uani 1 1 d . . .
H15 H 0.6423 0.3962 0.7890 0.056 Uiso 1 1 calc R U .
C16 C 0.5779(11) 0.4667(12) 0.7785(18) 0.041(6) Uani 1 1 d . . .
H16 H 0.5613 0.4589 0.7249 0.049 Uiso 1 1 calc R U .
C17 C 0.9372(13) 0.2845(17) 0.8354(18) 0.053(8) Uani 1 1 d . . .
H17 H 0.9584 0.2464 0.8362 0.063 Uiso 1 1 calc R U .
C18 C 0.8916(12) 0.2920(15) 0.8821(18) 0.048(7) Uani 1 1 d . . .
H18 H 0.8808 0.2584 0.9124 0.058 Uiso 1 1 calc R U .
C19 C 0.8612(12) 0.3495(15) 0.8850(16) 0.045(3) Uani 1 1 d . . .
C20 C 0.8773(14) 0.3953(16) 0.8337(19) 0.057(8) Uani 1 1 d . . .
H20 H 0.8566 0.4338 0.8279 0.068 Uiso 1 1 calc R U .
C21 C 0.9236(16) 0.3819(18) 0.793(2) 0.071(11) Uani 1 1 d . . .
H21 H 0.9371 0.4147 0.7636 0.085 Uiso 1 1 calc R U .
C22 C 0.9737(19) 0.315(2) 1.1284(18) 0.080(12) Uani 1 1 d . . .
H22 H 1.0113 0.3368 1.1373 0.096 Uiso 1 1 calc R U .
C23 C 0.9274(13) 0.331(2) 1.064(2) 0.072(8) Uani 1 1 d . . .
H23 H 0.9367 0.3563 1.0221 0.086 Uiso 1 1 calc R U .
C24 C 0.8668(12) 0.3079(15) 1.0633(16) 0.045(3) Uani 1 1 d . . .
C25 C 0.8603(13) 0.256(2) 1.111(2) 0.072(8) Uani 1 1 d . . .
H25 H 0.8235 0.2325 1.1009 0.086 Uiso 1 1 calc R U .
C26 C 0.905(2) 0.238(2) 1.169(3) 0.103(16) Uani 1 1 d . . .
H26 H 0.8969 0.2070 1.2047 0.123 Uiso 1 1 calc R U .
N1 N 0.5659(9) 0.4063(10) 1.1644(13) 0.036(5) Uani 1 1 d . . .
N2 N 0.5549(9) 0.5138(10) 0.8169(13) 0.036(5) Uani 1 1 d . . .
N3 N 0.9515(10) 0.3297(16) 0.7897(14) 0.054(7) Uani 1 1 d . . .
H3A H 0.9789 0.3245 0.7584 0.065 Uiso 0.5 1 calc R U P
N4 N 0.9639(14) 0.2662(15) 1.1788(16) 0.065(8) Uani 1 1 d . . .
H4A H 0.9935 0.2534 1.2155 0.078 Uiso 0.5 1 calc R U P
O3W O 0.863(4) 0.556(3) 0.734(5) 0.16(4) Uani 0.5 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'
W W -0.8490 6.8722 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
O17 W1 O21 100.5(16) . .
O17 W1 O4 102.4(12) . 7_667
O21 W1 O4 87.7(10) . 7_667
O17 W1 O2 99.2(14) . 7_667
O21 W1 O2 160.3(15) . 7_667
O4 W1 O2 89.3(9) 7_667 7_667
O17 W1 O20 100.5(15) . .
O21 W1 O20 90.0(9) . .
O4 W1 O20 157.0(15) 7_667 .
O2 W1 O20 85.2(11) 7_667 .
O17 W1 O15 153.9(13) . .
O21 W1 O15 64.4(12) . .
O4 W1 O15 98.3(12) 7_667 .
O2 W1 O15 96.9(12) 7_667 .
O20 W1 O15 60.5(13) . .
O17 W1 O16 156.1(13) . .
O21 W1 O16 96.6(14) . .
O4 W1 O16 61.7(11) 7_667 .
O2 W1 O16 65.0(10) 7_667 .
O20 W1 O16 96.0(14) . .
O15 W1 O16 49.9(10) . .
O7 W2 O6 100.8(13) . .
O7 W2 O8 100.0(12) . .
O6 W2 O8 90.8(9) . .
O7 W2 O22 102.7(15) . 7_667
O6 W2 O22 88.3(12) . 7_667
O8 W2 O22 157.0(15) . 7_667
O7 W2 O9 100.8(17) . .
O6 W2 O9 158.3(17) . .
O8 W2 O9 83.2(12) . .
O22 W2 O9 89.2(11) 7_667 .
O7 W2 O14 151.9(11) . 7_667
O6 W2 O14 100.2(12) . 7_667
O8 W2 O14 98.2(12) . 7_667
O22 W2 O14 59.5(12) 7_667 7_667
O9 W2 O14 60.3(14) . 7_667
O7 W2 O18 152.6(11) . 7_667
O6 W2 O18 61.1(11) . 7_667
O8 W2 O18 62.5(10) . 7_667
O22 W2 O18 97.4(14) 7_667 7_667
O9 W2 O18 97.9(17) . 7_667
O14 W2 O18 55.5(10) 7_667 7_667
O5 W3 O4 101.2(13) . .
O5 W3 O19 98.6(14) . .
O4 W3 O19 160.2(14) . .
O5 W3 O6 100.1(14) . .
O4 W3 O6 87.0(10) . .
O19 W3 O6 89.0(9) . .
O5 W3 O3 101.4(14) . .
O4 W3 O3 89.6(9) . .
O19 W3 O3 87.0(11) . .
O6 W3 O3 158.5(15) . .
O5 W3 O18 154.3(13) . 7_667
O4 W3 O18 98.6(12) . 7_667
O19 W3 O18 62.3(12) . 7_667
O6 W3 O18 64.7(11) . 7_667
O3 W3 O18 94.9(13) . 7_667
O5 W3 O16 156.2(13) . 7_667
O4 W3 O16 62.2(11) . 7_667
O19 W3 O16 99.0(13) . 7_667
O6 W3 O16 96.1(12) . 7_667
O3 W3 O16 63.8(11) . 7_667
O18 W3 O16 49.4(10) 7_667 7_667
O12 W4 O11 100.8(11) . .
O12 W4 O22 99.3(13) . .
O11 W4 O22 159.7(15) . .
O12 W4 O13 100.6(13) . .
O11 W4 O13 89.5(14) . .
O22 W4 O13 88.9(11) . .
O12 W4 O21 98.1(11) . .
O11 W4 O21 89.0(10) . .
O22 W4 O21 86.0(12) . .
O13 W4 O21 161.2(15) . .
O12 W4 O14 152.3(9) . .
O11 W4 O14 100.7(13) . .
O22 W4 O14 60.9(12) . .
O13 W4 O14 62.4(12) . .
O21 W4 O14 99.5(12) . .
O12 W4 O15 152.1(9) . .
O11 W4 O15 62.6(11) . .
O22 W4 O15 97.9(14) . .
O13 W4 O15 101.5(15) . .
O21 W4 O15 61.5(11) . .
O14 W4 O15 55.3(10) . .
O10 W5 O20 100.1(14) . .
O10 W5 O8 102.0(12) . .
O20 W5 O8 86.4(11) . .
O10 W5 O11 99.3(13) . .
O20 W5 O11 88.5(10) . .
O8 W5 O11 158.6(14) . .
O10 W5 O19 99.7(12) . .
O20 W5 O19 160.2(15) . .
O8 W5 O19 90.2(9) . .
O11 W5 O19 87.5(11) . .
O10 W5 O18 154.9(11) . 7_667
O20 W5 O18 100.3(14) . 7_667
O8 W5 O18 65.0(10) . 7_667
O11 W5 O18 95.6(13) . 7_667
O19 W5 O18 60.8(12) . 7_667
O10 W5 O15 152.4(11) . .
O20 W5 O15 61.0(13) . .
O8 W5 O15 96.9(12) . .
O11 W5 O15 62.6(11) . .
O19 W5 O15 100.2(12) . .
O18 W5 O15 52.6(10) 7_667 .
O1 W6 O3 100.0(13) . .
O1 W6 O9 101.7(17) . 7_667
O3 W6 O9 158.3(17) . 7_667
O1 W6 O2 98.7(12) . .
O3 W6 O2 90.9(10) . .
O9 W6 O2 86.2(13) 7_667 .
O1 W6 O13 100.3(14) . .
O3 W6 O13 85.5(13) . .
O9 W6 O13 90.2(11) 7_667 .
O2 W6 O13 161.0(15) . .
O1 W6 O14 153.2(10) . .
O3 W6 O14 98.2(13) . .
O9 W6 O14 61.4(15) 7_667 .
O2 W6 O14 100.6(12) . .
O13 W6 O14 61.7(13) . .
O1 W6 O16 153.6(11) . 7_667
O3 W6 O16 63.0(11) . 7_667
O9 W6 O16 96.8(17) 7_667 7_667
O2 W6 O16 63.7(10) . 7_667
O13 W6 O16 98.3(15) . 7_667
O14 W6 O16 53.2(10) . 7_667
O16 Al1 O16 180.0(17) 7_667 .
O16 Al1 O15 111.7(14) 7_667 .
O16 Al1 O15 68.3(14) . .
O16 Al1 O15 68.3(14) 7_667 7_667
O16 Al1 O15 111.7(14) . 7_667
O15 Al1 O15 180.0 . 7_667
O16 Al1 O18 113.6(14) 7_667 .
O16 Al1 O18 66.4(14) . .
O15 Al1 O18 110.3(13) . .
O15 Al1 O18 69.7(13) 7_667 .
O16 Al1 O18 66.4(14) 7_667 7_667
O16 Al1 O18 113.6(14) . 7_667
O15 Al1 O18 69.7(13) . 7_667
O15 Al1 O18 110.3(13) 7_667 7_667
O18 Al1 O18 180.0(16) . 7_667
O16 Al1 O14 72.2(13) 7_667 .
O16 Al1 O14 107.8(13) . .
O15 Al1 O14 72.1(12) . .
O15 Al1 O14 107.9(12) 7_667 .
O18 Al1 O14 74.9(13) . .
O18 Al1 O14 105.1(13) 7_667 .
O16 Al1 O14 107.8(13) 7_667 7_667
O16 Al1 O14 72.2(13) . 7_667
O15 Al1 O14 107.9(12) . 7_667
O15 Al1 O14 72.1(12) 7_667 7_667
O18 Al1 O14 105.1(13) . 7_667
O18 Al1 O14 74.9(13) 7_667 7_667
O14 Al1 O14 180.0 . 7_667
O12 Co1 O12 91.2(9) . 2_656
O12 Co1 N2 178.2(7) . 2_656
O12 Co1 N2 90.2(7) 2_656 2_656
O12 Co1 N2 90.2(7) . .
O12 Co1 N2 178.2(7) 2_656 .
N2 Co1 N2 88.3(11) 2_656 .
O12 Co1 N1 89.1(7) . 5_667
O12 Co1 N1 85.1(7) 2_656 5_667
N2 Co1 N1 91.9(8) 2_656 5_667
N2 Co1 N1 94.0(8) . 5_667
O12 Co1 N1 85.1(7) . 6_565
O12 Co1 N1 89.1(7) 2_656 6_565
N2 Co1 N1 94.0(8) 2_656 6_565
N2 Co1 N1 91.9(8) . 6_565
N1 Co1 N1 171.8(11) 5_667 6_565
W1 O2 W6 134.8(14) 7_667 .
W6 O3 W3 136.4(15) . .
W3 O4 W1 137.8(16) . 7_667
W2 O6 W3 135.9(16) . .
W2 O8 W5 135.9(14) . .
W6 O9 W2 137(2) 7_667 .
W4 O11 W5 136.5(15) . .
W4 O12 Co1 158.7(10) . .
W4 O13 W6 134(2) . .
Al1 O14 W4 117.0(14) . .
Al1 O14 W6 117.2(14) . .
W4 O14 W6 101.7(11) . .
Al1 O14 W2 115.9(15) . 7_667
W4 O14 W2 101.2(11) . 7_667
W6 O14 W2 101.2(11) . 7_667
Al1 O15 W1 120.3(15) . .
Al1 O15 W5 118.7(14) . .
W1 O15 W5 100.9(11) . .
Al1 O15 W4 115.6(13) . .
W1 O15 W4 99.2(10) . .
W5 O15 W4 98.3(11) . .
Al1 O16 W3 121.6(14) . 7_667
Al1 O16 W1 121.6(15) . .
W3 O16 W1 98.0(11) 7_667 .
Al1 O16 W6 117.3(14) . 7_667
W3 O16 W6 96.4(11) 7_667 7_667
W1 O16 W6 96.2(10) . 7_667
Al1 O18 W3 122.6(14) . 7_667
Al1 O18 W5 118.9(14) . 7_667
W3 O18 W5 102.3(12) 7_667 7_667
Al1 O18 W2 113.7(13) . 7_667
W3 O18 W2 98.2(11) 7_667 7_667
W5 O18 W2 96.4(10) 7_667 7_667
W3 O19 W5 134.3(17) . .
W5 O20 W1 137(2) . .
W1 O21 W4 134.8(17) . .
W4 O22 W2 138.3(19) . 7_667
C2 C1 N1 125(3) . .
C2 C1 H1 117.4 . .
N1 C1 H1 117.4 . .
C1 C2 C5 121(3) . .
C1 C2 H2 119.7 . .
C5 C2 H2 119.7 . .
N1 C3 C4 127(3) . .
N1 C3 H3 116.7 . .
C4 C3 H3 116.7 . .
C5 C4 C3 118(3) . .
C5 C4 H4 120.8 . .
C3 C4 H4 120.8 . .
C4 C5 C2 116(2) . .
C4 C5 C6 123(3) . .
C2 C5 C6 121(3) . .
C11 C6 C7 117(3) . .
C11 C6 C5 125(3) . .
C7 C6 C5 118(3) . .
C8 C7 C6 122(3) . .
C8 C7 H7 118.8 . .
C6 C7 H7 118.8 . .
C9 C8 C7 119(3) . .
C9 C8 C24 131(2) . .
C7 C8 C24 109(2) . .
C8 C9 C10 120(2) . .
C8 C9 C19 121(2) . .
C10 C9 C19 118(2) . .
C9 C10 C11 121(2) . .
C9 C10 H10 119.5 . .
C11 C10 H10 119.5 . .
C6 C11 C10 120(2) . .
C6 C11 C14 122(2) . .
C10 C11 C14 119(2) . .
N2 C12 C13 125(2) . .
N2 C12 H12 117.5 . .
C13 C12 H12 117.5 . .
C12 C13 C14 121(2) . .
C12 C13 H13 119.7 . .
C14 C13 H13 119.7 . .
C13 C14 C15 115(2) . .
C13 C14 C11 124(3) . .
C15 C14 C11 121(3) . .
C14 C15 C16 120(3) . .
C14 C15 H15 119.9 . .
C16 C15 H15 119.9 . .
N2 C16 C15 121(3) . .
N2 C16 H16 119.3 . .
C15 C16 H16 119.3 . .
N3 C17 C18 121(3) . .
N3 C17 H17 119.5 . .
C18 C17 H17 119.5 . .
C17 C18 C19 121(3) . .
C17 C18 H18 119.6 . .
C19 C18 H18 119.6 . .
C20 C19 C18 115(3) . .
C20 C19 C9 122(3) . .
C18 C19 C9 122(3) . .
C21 C20 C19 117(3) . .
C21 C20 H20 121.5 . .
C19 C20 H20 121.5 . .
N3 C21 C20 128(3) . .
N3 C21 H21 116.1 . .
C20 C21 H21 116.1 . .
N4 C22 C23 120(4) . .
N4 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C24 C23 C22 118(3) . .
C24 C23 H23 121.0 . .
C22 C23 H23 121.0 . .
C25 C24 C23 117(3) . .
C25 C24 C8 122(3) . .
C23 C24 C8 120(3) . .
C26 C25 C24 122(4) . .
C26 C25 H25 119.1 . .
C24 C25 H25 119.1 . .
C25 C26 N4 121(4) . .
C25 C26 H26 119.5 . .
N4 C26 H26 119.5 . .
C3 N1 C1 113(2) . .
C3 N1 Co1 125.8(18) . 5_667
C1 N1 Co1 120.4(17) . 5_667
C12 N2 C16 118(2) . .
C12 N2 Co1 120.0(17) . .
C16 N2 Co1 120.2(18) . .
C21 N3 C17 118(2) . .
C21 N3 H3A 121.2 . .
C17 N3 H3A 121.2 . .
C26 N4 C22 119(3) . .
C26 N4 H4A 120.7 . .
C22 N4 H4A 120.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O17 1.667(19) .
W1 O21 1.81(2) .
W1 O4 1.89(2) 7_667
W1 O2 1.88(2) 7_667
W1 O20 1.92(2) .
W1 O15 2.28(3) .
W1 O16 2.33(3) .
W2 O7 1.66(2) .
W2 O6 1.87(3) .
W2 O8 1.88(2) .
W2 O22 1.88(2) 7_667
W2 O9 1.89(3) .
W2 O14 2.30(3) 7_667
W2 O18 2.40(3) 7_667
W3 O5 1.68(2) .
W3 O4 1.86(2) .
W3 O19 1.89(2) .
W3 O6 1.89(2) .
W3 O3 1.90(2) .
W3 O18 2.22(3) 7_667
W3 O16 2.31(3) 7_667
W4 O12 1.713(15) .
W4 O11 1.85(2) .
W4 O22 1.87(3) .
W4 O13 1.87(3) .
W4 O21 1.98(3) .
W4 O14 2.24(3) .
W4 O15 2.32(3) .
W5 O10 1.691(17) .
W5 O20 1.86(3) .
W5 O8 1.89(2) .
W5 O11 1.90(2) .
W5 O19 1.91(3) .
W5 O18 2.28(3) 7_667
W5 O15 2.29(3) .
W6 O1 1.650(19) .
W6 O3 1.86(3) .
W6 O9 1.89(3) 7_667
W6 O2 1.90(2) .
W6 O13 1.91(2) .
W6 O14 2.25(3) .
W6 O16 2.37(3) 7_667
Al1 O16 1.69(3) 7_667
Al1 O16 1.69(3) .
Al1 O15 1.77(3) .
Al1 O15 1.77(3) 7_667
Al1 O18 1.77(3) .
Al1 O18 1.77(3) 7_667
Al1 O14 1.83(3) .
Al1 O14 1.83(3) 7_667
Co1 O12 2.127(16) .
Co1 O12 2.127(16) 2_656
Co1 N2 2.15(2) 2_656
Co1 N2 2.15(2) .
Co1 N1 2.19(2) 5_667
Co1 N1 2.19(2) 6_565
O2 W1 1.88(2) 7_667
O4 W1 1.89(2) 7_667
O9 W6 1.89(3) 7_667
O14 W2 2.30(3) 7_667
O16 W3 2.31(3) 7_667
O16 W6 2.37(3) 7_667
O18 W3 2.22(3) 7_667
O18 W5 2.28(3) 7_667
O18 W2 2.40(3) 7_667
O22 W2 1.88(2) 7_667
C1 C2 1.35(3) .
C1 N1 1.36(3) .
C1 H1 0.9300 .
C2 C5 1.38(4) .
C2 H2 0.9300 .
C3 N1 1.30(3) .
C3 C4 1.40(4) .
C3 H3 0.9300 .
C4 C5 1.37(4) .
C4 H4 0.9300 .
C5 C6 1.46(4) .
C6 C11 1.39(4) .
C6 C7 1.42(4) .
C7 C8 1.40(4) .
C7 H7 0.9300 .
C8 C9 1.36(4) .
C8 C24 1.50(4) .
C9 C10 1.40(3) .
C9 C19 1.49(4) .
C10 C11 1.40(3) .
C10 H10 0.9300 .
C11 C14 1.47(4) .
C12 N2 1.31(3) .
C12 C13 1.34(3) .
C12 H12 0.9300 .
C13 C14 1.39(4) .
C13 H13 0.9300 .
C14 C15 1.40(4) .
C15 C16 1.40(3) .
C15 H15 0.9300 .
C16 N2 1.33(3) .
C16 H16 0.9300 .
C17 N3 1.30(4) .
C17 C18 1.37(4) .
C17 H17 0.9300 .
C18 C19 1.39(4) .
C18 H18 0.9300 .
C19 C20 1.38(4) .
C20 C21 1.33(4) .
C20 H20 0.9300 .
C21 N3 1.27(4) .
C21 H21 0.9300 .
C22 N4 1.37(5) .
C22 C23 1.40(5) .
C22 H22 0.9300 .
C23 C24 1.40(4) .
C23 H23 0.9300 .
C24 C25 1.39(4) .
C25 C26 1.32(5) .
C25 H25 0.9300 .
C26 N4 1.39(6) .
C26 H26 0.9300 .
N1 Co1 2.19(2) 5_667
N3 H3A 0.8600 .
N4 H4A 0.8600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N4 H4A N4 0.86 1.89 2.64(5) 145.6 2_757
N3 H3A N3 0.86 1.82 2.66(4) 164.1 2_756
C12 H12 O21 0.93 2.54 3.29(3) 137.3 .
C23 H23 O10 0.93 2.52 3.20(3) 130.2 3_545
