# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
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data_Dy4P4
_audit_creation_date             2014-08-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H56 Dy4 N6 O35 P4, 4(C5 H6 N)'
_chemical_formula_sum            'C46 H80 Dy4 N10 O35 P4'
_chemical_formula_weight         2065.01
_chemical_melting_point          ?
_chemical_oxdiff_formula         Dy4O40N4C60H60
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'
Dy Dy -0.1892 4.4098 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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'

_cell_length_a                   44.8591(11)
_cell_length_b                   19.1273(5)
_cell_length_c                   23.9486(5)
_cell_angle_alpha                90
_cell_angle_beta                 91.090(2)
_cell_angle_gamma                90
_cell_volume                     20545.1(8)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7295
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      27.8150
_cell_measurement_theta_min      3.3120
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.003
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.62947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             8052
_exptl_crystal_size_max          0.108
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0469
_diffrn_reflns_av_unetI/netI     0.0963
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            34066
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.055
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0714
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -94.00  -34.75   0.7500   35.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.7110 -178.0000  -30.0000 79

#__ type_ start__ end____ width___ exp.time_
  2 omega  -82.00  -49.00   0.7500   35.0000
omega____ theta____ kappa____ phi______ frames
    -      -20.7110  127.0000  -42.0000 44

#__ type_ start__ end____ width___ exp.time_
  3 omega   -8.00   93.25   0.7500   35.0000
omega____ theta____ kappa____ phi______ frames
    -       21.3360   37.0000  -90.0000 135
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0026494000
_diffrn_orient_matrix_UB_12      0.0365463000
_diffrn_orient_matrix_UB_13      0.0006613000
_diffrn_orient_matrix_UB_21      -0.0155643000
_diffrn_orient_matrix_UB_22      0.0062419000
_diffrn_orient_matrix_UB_23      -0.0022203000
_diffrn_orient_matrix_UB_31      -0.0009224000
_diffrn_orient_matrix_UB_32      -0.0003395000
_diffrn_orient_matrix_UB_33      0.0295362000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14004
_reflns_number_total             20866
_reflns_odcompleteness_completeness 99.23
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48)'
_computing_data_collection       
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48)'
_computing_data_reduction        
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.719
_refine_diff_density_min         -0.727
_refine_diff_density_rms         0.140
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     884
_refine_ls_number_reflns         20866
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0430
_refine_ls_restrained_S_all      0.961
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0305P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0964
_refine_special_details          ?
_olex2_refinement_description    
;
Big solvent Voids are obtained during the first 
modelling of the data, due to non-localised solvent molecules. 
In order to get an idea of how many solvent molecules occupies the 
empty space, a SQUEZZE procedure was performed. A total of 1722 
electron counts were found, which were attributed to a total of 
41 molecules of isobutanol (42 electron counts per molecule). 
These molecules have been added to the molecular formula in the cif file
and not to the _chemical_formula_sum.

_chemical_formula_moiety          'C26 H56 Dy4 N6 O35 P4, 4(C5 H6 N), 41(C5 H5 N)'
_chemical_formula_sum             'C251 H285 Dy4 N51 O35 P4'
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.73999(2) 0.61717(2) 0.29930(2) 0.02171(8) Uani 1 1 d . . . . .
Dy2 Dy 0.61982(2) 0.55280(2) 0.28058(2) 0.02442(8) Uani 1 1 d . . . . .
Dy3 Dy 0.63018(2) 0.74677(2) 0.30763(2) 0.02479(8) Uani 1 1 d . . . . .
Dy4 Dy 0.64123(2) 0.67102(2) 0.16094(2) 0.02744(8) Uani 1 1 d . . . . .
P1 P 0.69258(4) 0.76396(9) 0.26110(7) 0.0236(4) Uani 1 1 d . . . . .
P2 P 0.66873(4) 0.58667(9) 0.36588(6) 0.0227(4) Uani 1 1 d . . . . .
P3 P 0.68782(4) 0.55793(9) 0.19029(7) 0.0240(4) Uani 1 1 d . . . . .
P4 P 0.59629(4) 0.81831(11) 0.18520(8) 0.0432(5) Uani 1 1 d . . . . .
O1 O 0.58662(9) 0.7097(2) 0.34749(17) 0.0319(11) Uani 1 1 d . . . . .
O1N O 0.74599(11) 0.7000(2) 0.38183(18) 0.0355(11) Uani 1 1 d . . . . .
O1OH O 0.61253(9) 0.6638(2) 0.24284(15) 0.0260(10) Uani 1 1 d . . . . .
O1P O 0.70061(9) 0.5987(2) 0.35253(15) 0.0255(10) Uani 1 1 d . . . . .
O2 O 0.58190(10) 0.5947(2) 0.33559(18) 0.0348(11) Uani 1 1 d . . . . .
O2N O 0.78204(10) 0.6988(2) 0.32245(19) 0.0367(12) Uani 1 1 d . . . . .
O2P O 0.65616(9) 0.5157(2) 0.34494(15) 0.0239(10) Uani 1 1 d . . . . .
O3 O 0.58749(10) 0.5307(2) 0.20572(17) 0.0362(12) Uani 1 1 d . . . . .
O3N O 0.78374(13) 0.7698(3) 0.3943(2) 0.0659(17) Uani 1 1 d . . . . .
O3P O 0.64719(8) 0.6397(2) 0.33813(15) 0.0211(9) Uani 1 1 d . . . . .
O4 O 0.60546(10) 0.5926(3) 0.13466(17) 0.0353(12) Uani 1 1 d . . . . .
O4N O 0.74101(11) 0.4896(2) 0.33055(19) 0.0375(12) Uani 1 1 d . . . . .
O4P O 0.71404(9) 0.5635(2) 0.22990(16) 0.0294(11) Uani 1 1 d . . . . .
O5N O 0.76797(11) 0.5628(2) 0.37753(18) 0.0401(12) Uani 1 1 d . . . . .
O5P O 0.65734(9) 0.5666(2) 0.21737(15) 0.0247(10) Uani 1 1 d . . . . .
O6N O 0.76385(16) 0.4566(3) 0.4067(2) 0.079(2) Uani 1 1 d . . . . .
O6P O 0.68732(9) 0.6146(2) 0.14414(15) 0.0278(10) Uani 1 1 d . . . . .
O7N O 0.78314(10) 0.5540(2) 0.25826(19) 0.0428(13) Uani 1 1 d . . . . .
O7P O 0.71774(9) 0.7136(2) 0.26966(17) 0.0305(11) Uani 1 1 d . . . . .
O8N O 0.76931(10) 0.6462(2) 0.21310(17) 0.0305(11) Uani 1 1 d . . . . .
O8P O 0.66548(8) 0.7327(2) 0.22942(15) 0.0224(10) Uani 1 1 d . . . . .
O9N O 0.80262(12) 0.5774(3) 0.1773(2) 0.0615(17) Uani 1 1 d . . . . .
O9P O 0.67872(9) 0.7907(2) 0.31618(16) 0.0293(10) Uani 1 1 d . . . . .
O10N O 0.61873(12) 0.8556(3) 0.3568(2) 0.0531(15) Uani 1 1 d . . . . .
O10P O 0.60905(11) 0.7609(2) 0.14972(18) 0.0416(13) Uani 1 1 d . . . . .
O11N O 0.63647(11) 0.7745(3) 0.40975(17) 0.0398(12) Uani 1 1 d . . . . .
O11P O 0.60641(10) 0.8174(2) 0.24556(17) 0.0362(12) Uani 1 1 d . . . . .
O12N O 0.62335(18) 0.8722(4) 0.4457(3) 0.107(3) Uani 1 1 d . . . . .
O12P O 0.60386(12) 0.8923(3) 0.1604(2) 0.0638(16) Uani 1 1 d . . . . .
O13N O 0.59183(10) 0.4520(3) 0.31490(19) 0.0399(12) Uani 1 1 d . . . . .
O14N O 0.62580(10) 0.4262(2) 0.25485(19) 0.0394(12) Uani 1 1 d . . . . .
O15N O 0.59369(13) 0.3471(3) 0.2789(2) 0.0666(17) Uani 1 1 d . . . . .
O16N O 0.64006(12) 0.6685(3) 0.05728(18) 0.0513(15) Uani 1 1 d . . . . .
O17N O 0.66770(11) 0.7503(3) 0.09354(19) 0.0436(13) Uani 1 1 d . . . . .
O18N O 0.66253(14) 0.7413(3) 0.0027(2) 0.076(2) Uani 1 1 d . . . . .
N1 N 0.77086(14) 0.7233(3) 0.3670(2) 0.0377(15) Uani 1 1 d . . . . .
N2 N 0.75767(15) 0.5013(3) 0.3724(2) 0.0413(16) Uani 1 1 d . . . . .
N3 N 0.78550(13) 0.5918(3) 0.2151(2) 0.0374(15) Uani 1 1 d . . . . .
N4 N 0.62620(15) 0.8347(4) 0.4048(3) 0.0504(18) Uani 1 1 d . . . . .
N5 N 0.60320(14) 0.4060(3) 0.2829(3) 0.0444(16) Uani 1 1 d . . . . .
N6 N 0.65669(15) 0.7208(4) 0.0502(3) 0.0537(19) Uani 1 1 d . . . . .
C1 C 0.57492(14) 0.6517(4) 0.3578(3) 0.0332(17) Uani 1 1 d . . . . .
C1P C 0.70753(14) 0.8381(3) 0.2239(3) 0.0269(15) Uani 1 1 d . . . . .
C2 C 0.54957(15) 0.6512(4) 0.4010(3) 0.0384(18) Uani 1 1 d . . . . .
C2P C 0.73064(15) 0.8743(4) 0.2616(3) 0.0421(19) Uani 1 1 d . . . . .
H2PA H 0.7210 0.8930 0.2938 0.063 Uiso 1 1 calc GR . . . .
H2PB H 0.7399 0.9115 0.2414 0.063 Uiso 1 1 calc GR . . . .
H2PC H 0.7455 0.8410 0.2732 0.063 Uiso 1 1 calc GR . . . .
C3 C 0.54276(16) 0.5761(4) 0.4200(3) 0.055(2) Uani 1 1 d . . . . .
H3A H 0.5604 0.5558 0.4366 0.082 Uiso 1 1 calc GR . . . .
H3B H 0.5365 0.5487 0.3883 0.082 Uiso 1 1 calc GR . . . .
H3C H 0.5272 0.5770 0.4469 0.082 Uiso 1 1 calc GR . . . .
C3P C 0.72287(16) 0.8103(4) 0.1715(3) 0.0413(19) Uani 1 1 d . . . . .
H3PA H 0.7376 0.7762 0.1822 0.062 Uiso 1 1 calc GR . . . .
H3PB H 0.7323 0.8483 0.1525 0.062 Uiso 1 1 calc GR . . . .
H3PC H 0.7083 0.7891 0.1471 0.062 Uiso 1 1 calc GR . . . .
C4 C 0.52256(15) 0.6836(4) 0.3713(3) 0.055(2) Uani 1 1 d . . . . .
H4A H 0.5059 0.6834 0.3959 0.083 Uiso 1 1 calc GR . . . .
H4B H 0.5177 0.6570 0.3384 0.083 Uiso 1 1 calc GR . . . .
H4C H 0.5271 0.7309 0.3609 0.083 Uiso 1 1 calc GR . . . .
C4P C 0.68261(16) 0.8888(4) 0.2065(3) 0.048(2) Uani 1 1 d . . . . .
H4PA H 0.6697 0.8666 0.1794 0.072 Uiso 1 1 calc GR . . . .
H4PB H 0.6912 0.9300 0.1905 0.072 Uiso 1 1 calc GR . . . .
H4PC H 0.6714 0.9014 0.2387 0.072 Uiso 1 1 calc GR . . . .
C5 C 0.55856(17) 0.6976(5) 0.4513(3) 0.063(3) Uani 1 1 d . . . . .
H5A H 0.5618 0.7446 0.4387 0.094 Uiso 1 1 calc GR . . . .
H5B H 0.5765 0.6798 0.4683 0.094 Uiso 1 1 calc GR . . . .
H5C H 0.5429 0.6973 0.4780 0.094 Uiso 1 1 calc GR . . . .
C5P C 0.66613(14) 0.5891(4) 0.4414(2) 0.0295(16) Uani 1 1 d . . . . .
C6 C 0.58895(15) 0.5456(4) 0.1548(3) 0.0358(18) Uani 1 1 d . . . . .
C6P C 0.68175(17) 0.5203(4) 0.4634(3) 0.045(2) Uani 1 1 d . . . . .
H6PA H 0.6707 0.4803 0.4504 0.067 Uiso 1 1 calc GR . . . .
H6PB H 0.6824 0.5206 0.5035 0.067 Uiso 1 1 calc GR . . . .
H6PC H 0.7017 0.5182 0.4496 0.067 Uiso 1 1 calc GR . . . .
C7 C 0.56893(15) 0.5052(4) 0.1134(3) 0.0398(19) Uani 1 1 d . . . . .
C7P C 0.63299(15) 0.5901(4) 0.4583(3) 0.044(2) Uani 1 1 d . . . . .
H7PA H 0.6243 0.6342 0.4482 0.066 Uiso 1 1 calc GR . . . .
H7PB H 0.6317 0.5835 0.4979 0.066 Uiso 1 1 calc GR . . . .
H7PC H 0.6225 0.5531 0.4393 0.066 Uiso 1 1 calc GR . . . .
C8 C 0.54137(18) 0.5466(6) 0.1063(4) 0.092(4) Uani 1 1 d . . . . .
H8A H 0.5299 0.5436 0.1397 0.138 Uiso 1 1 calc GR . . . .
H8B H 0.5298 0.5286 0.0754 0.138 Uiso 1 1 calc GR . . . .
H8C H 0.5464 0.5946 0.0994 0.138 Uiso 1 1 calc GR . . . .
C8P C 0.68302(15) 0.6522(4) 0.4651(2) 0.0375(18) Uani 1 1 d . . . . .
H8PA H 0.7037 0.6489 0.4556 0.056 Uiso 1 1 calc GR . . . .
H8PB H 0.6813 0.6530 0.5050 0.056 Uiso 1 1 calc GR . . . .
H8PC H 0.6747 0.6943 0.4497 0.056 Uiso 1 1 calc GR . . . .
C9 C 0.5626(3) 0.4327(6) 0.1371(4) 0.122(5) Uani 1 1 d . . . . .
H9A H 0.5810 0.4117 0.1498 0.182 Uiso 1 1 calc GR . . . .
H9B H 0.5536 0.4040 0.1086 0.182 Uiso 1 1 calc GR . . . .
H9C H 0.5493 0.4368 0.1679 0.182 Uiso 1 1 calc GR . . . .
C9P C 0.68970(14) 0.4731(3) 0.1568(2) 0.0262(15) Uani 1 1 d . . . . .
C10 C 0.5837(2) 0.4971(6) 0.0576(3) 0.102(4) Uani 1 1 d . . . . .
H10A H 0.5912 0.5416 0.0457 0.153 Uiso 1 1 calc GR . . . .
H10B H 0.5694 0.4801 0.0305 0.153 Uiso 1 1 calc GR . . . .
H10C H 0.5999 0.4645 0.0611 0.153 Uiso 1 1 calc GR . . . .
C10P C 0.71761(14) 0.4698(4) 0.1211(3) 0.0362(17) Uani 1 1 d . . . . .
H10D H 0.7161 0.5038 0.0917 0.054 Uiso 1 1 calc GR . . . .
H10E H 0.7193 0.4239 0.1051 0.054 Uiso 1 1 calc GR . . . .
H10F H 0.7349 0.4794 0.1440 0.054 Uiso 1 1 calc GR . . . .
C11P C 0.66148(14) 0.4610(4) 0.1212(3) 0.0359(17) Uani 1 1 d . . . . .
H11A H 0.6447 0.4552 0.1452 0.054 Uiso 1 1 calc GR . . . .
H11B H 0.6639 0.4196 0.0990 0.054 Uiso 1 1 calc GR . . . .
H11C H 0.6581 0.5004 0.0972 0.054 Uiso 1 1 calc GR . . . .
C12P C 0.69251(15) 0.4167(3) 0.2019(3) 0.0369(17) Uani 1 1 d . . . . .
H12A H 0.7089 0.4278 0.2267 0.055 Uiso 1 1 calc GR . . . .
H12B H 0.6960 0.3722 0.1846 0.055 Uiso 1 1 calc GR . . . .
H12C H 0.6744 0.4146 0.2225 0.055 Uiso 1 1 calc GR . . . .
C13P C 0.55611(17) 0.8128(4) 0.1825(3) 0.049(2) Uani 1 1 d . . . . .
C14P C 0.54657(17) 0.7421(5) 0.2083(3) 0.068(3) Uani 1 1 d . . . . .
H14A H 0.5546 0.7044 0.1869 0.103 Uiso 1 1 calc GR . . . .
H14B H 0.5252 0.7390 0.2079 0.103 Uiso 1 1 calc GR . . . .
H14C H 0.5540 0.7392 0.2461 0.103 Uiso 1 1 calc GR . . . .
C15P C 0.54555(17) 0.8155(5) 0.1210(3) 0.078(3) Uani 1 1 d . . . . .
H15A H 0.5508 0.8599 0.1052 0.117 Uiso 1 1 calc GR . . . .
H15B H 0.5243 0.8098 0.1189 0.117 Uiso 1 1 calc GR . . . .
H15C H 0.5549 0.7787 0.1006 0.117 Uiso 1 1 calc GR . . . .
C16P C 0.5433(2) 0.8741(5) 0.2155(4) 0.090(3) Uani 1 1 d . . . . .
H16A H 0.5503 0.8716 0.2536 0.135 Uiso 1 1 calc GR . . . .
H16B H 0.5219 0.8719 0.2142 0.135 Uiso 1 1 calc GR . . . .
H16C H 0.5498 0.9174 0.1993 0.135 Uiso 1 1 calc GR . . . .
N8 N 0.70084(13) 0.8571(3) 0.4023(2) 0.0358(14) Uani 1 1 d . . . . .
H8 H 0.6948 0.8297 0.3760 0.043 Uiso 1 1 calc R . . . .
C11 C 0.6949(2) 0.9233(5) 0.3989(3) 0.062(3) Uani 1 1 d . . . . .
H11 H 0.6841 0.9402 0.3682 0.074 Uiso 1 1 calc R . . . .
C12 C 0.7042(2) 0.9676(4) 0.4389(4) 0.073(3) Uani 1 1 d . . . . .
H12 H 0.7005 1.0152 0.4351 0.088 Uiso 1 1 calc R . . . .
C13 C 0.7186(2) 0.9437(5) 0.4844(3) 0.066(3) Uani 1 1 d . . . . .
H13 H 0.7242 0.9741 0.5131 0.079 Uiso 1 1 calc R . . . .
C14 C 0.72530(17) 0.8729(4) 0.4882(3) 0.049(2) Uani 1 1 d . . . . .
H14 H 0.7358 0.8549 0.5189 0.059 Uiso 1 1 calc R . . . .
C15 C 0.71595(17) 0.8308(4) 0.4454(3) 0.0435(19) Uani 1 1 d . . . . .
H15 H 0.7202 0.7832 0.4465 0.052 Uiso 1 1 calc R . . . .
N7 N 0.72728(13) 0.3549(3) 0.5713(2) 0.0375(15) Uani 1 1 d . . . . .
H7 H 0.7150 0.3616 0.5978 0.045 Uiso 1 1 calc R . . . .
C24 C 0.71742(17) 0.3611(4) 0.5187(3) 0.0417(19) Uani 1 1 d . . . . .
H24 H 0.6976 0.3725 0.5110 0.050 Uiso 1 1 calc R . . . .
C25 C 0.73665(19) 0.3508(4) 0.4764(3) 0.052(2) Uani 1 1 d . . . . .
H25 H 0.7299 0.3547 0.4396 0.062 Uiso 1 1 calc R . . . .
C26 C 0.76672(19) 0.3342(4) 0.4877(3) 0.047(2) Uani 1 1 d . . . . .
H26 H 0.7801 0.3270 0.4591 0.056 Uiso 1 1 calc R . . . .
C27 C 0.77530(16) 0.3290(4) 0.5432(3) 0.0417(19) Uani 1 1 d . . . . .
H27 H 0.7950 0.3187 0.5527 0.050 Uiso 1 1 calc R . . . .
C28 C 0.75509(17) 0.3390(4) 0.5842(3) 0.0408(19) Uani 1 1 d . . . . .
H28 H 0.7610 0.3345 0.6215 0.049 Uiso 1 1 calc R . . . .
N10 N 0.66853(15) 0.3837(3) 0.3558(2) 0.0465(17) Uani 1 1 d . . . . .
H10 H 0.6677 0.4286 0.3581 0.056 Uiso 1 1 calc R . . . .
C19 C 0.64618(18) 0.3460(5) 0.3767(3) 0.054(2) Uani 1 1 d . . . . .
H19 H 0.6303 0.3677 0.3940 0.065 Uiso 1 1 calc R . . . .
C20 C 0.6474(2) 0.2750(5) 0.3719(4) 0.064(3) Uani 1 1 d . . . . .
H20 H 0.6321 0.2475 0.3856 0.077 Uiso 1 1 calc R . . . .
C21 C 0.6710(2) 0.2449(4) 0.3471(4) 0.062(3) Uani 1 1 d . . . . .
H21 H 0.6717 0.1964 0.3443 0.075 Uiso 1 1 calc R . . . .
C22 C 0.6933(2) 0.2828(4) 0.3265(3) 0.056(2) Uani 1 1 d . . . . .
H22 H 0.7093 0.2616 0.3091 0.067 Uiso 1 1 calc R . . . .
C23 C 0.69179(18) 0.3550(4) 0.3320(3) 0.046(2) Uani 1 1 d . . . . .
H23 H 0.7071 0.3830 0.3189 0.055 Uiso 1 1 calc R . . . .
N9 N 0.5000 0.3819(10) 0.2500 0.132(6) Uani 1 2 d S T P . .
H9 H 0.5000 0.3369 0.2500 0.158 Uiso 1 2 calc RS T P . .
C16 C 0.5000 0.5206(11) 0.2500 0.105(6) Uani 1 2 d S T P . .
H16 H 0.5000 0.5692 0.2500 0.126 Uiso 1 2 calc RS T P . .
C17 C 0.5238(2) 0.4901(8) 0.2753(4) 0.095(4) Uani 1 1 d . . . . .
H17 H 0.5396 0.5148 0.2915 0.114 Uiso 1 1 calc R . . . .
C18 C 0.5221(2) 0.4189(8) 0.2744(5) 0.095(4) Uani 1 1 d . . . . .
H18 H 0.5374 0.3941 0.2921 0.114 Uiso 1 1 calc R . . . .


_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
Dy1 O1N 2.544(4) . ?
Dy1 O1P 2.226(4) . ?
Dy1 O2N 2.503(4) . ?
Dy1 O4N 2.552(4) . ?
Dy1 O4P 2.258(4) . ?
Dy1 O5N 2.465(4) . ?
Dy1 O7N 2.499(5) . ?
Dy1 O7P 2.208(4) . ?
Dy1 O8N 2.531(4) . ?
Dy1 N1 2.930(6) . ?
Dy1 N2 2.925(6) . ?
Dy1 N3 2.937(6) . ?
Dy2 Dy3 3.7933(4) . ?
Dy2 Dy4 3.7880(4) . ?
Dy2 P2 3.0389(16) . ?
Dy2 O1OH 2.328(4) . ?
Dy2 O2 2.315(4) . ?
Dy2 O2P 2.333(4) . ?
Dy2 O3 2.323(4) . ?
Dy2 O3P 2.471(4) . ?
Dy2 O5P 2.300(4) . ?
Dy2 O13N 2.452(5) . ?
Dy2 O14N 2.514(5) . ?
Dy2 N5 2.905(6) . ?
Dy3 Dy4 3.8407(4) . ?
Dy3 P1 3.0499(17) . ?
Dy3 O1 2.303(4) . ?
Dy3 O1OH 2.346(4) . ?
Dy3 O3P 2.300(4) . ?
Dy3 O8P 2.490(4) . ?
Dy3 O9P 2.339(4) . ?
Dy3 O10N 2.450(5) . ?
Dy3 O11N 2.513(4) . ?
Dy3 O11P 2.261(4) . ?
Dy3 N4 2.880(7) . ?
Dy4 P3 3.0801(17) . ?
Dy4 O1OH 2.371(4) . ?
Dy4 O4 2.276(5) . ?
Dy4 O5P 2.510(4) . ?
Dy4 O6P 2.374(4) . ?
Dy4 O8P 2.280(4) . ?
Dy4 O10P 2.257(4) . ?
Dy4 O16N 2.482(4) . ?
Dy4 O17N 2.528(5) . ?
Dy4 N6 2.914(7) . ?
P1 O7P 1.495(4) . ?
P1 O8P 1.541(4) . ?
P1 O9P 1.555(4) . ?
P1 C1P 1.810(6) . ?
P2 O1P 1.489(4) . ?
P2 O2P 1.550(4) . ?
P2 O3P 1.542(4) . ?
P2 C5P 1.816(6) . ?
P3 O4P 1.501(4) . ?
P3 O5P 1.534(4) . ?
P3 O6P 1.548(4) . ?
P3 C9P 1.812(6) . ?
P4 O10P 1.508(5) . ?
P4 O11P 1.507(4) . ?
P4 O12P 1.574(5) . ?
P4 C13P 1.805(8) . ?
O1 C1 1.253(8) . ?
O1N N1 1.259(7) . ?
O2 C1 1.255(8) . ?
O2N N1 1.277(7) . ?
O3 C6 1.254(8) . ?
O3N N1 1.239(7) . ?
O4 C6 1.266(8) . ?
O4N N2 1.259(7) . ?
O5N N2 1.269(7) . ?
O6N N2 1.213(7) . ?
O7N N3 1.268(6) . ?
O8N N3 1.269(7) . ?
O9N N3 1.230(6) . ?
O10N N4 1.257(7) . ?
O11N N4 1.245(7) . ?
O12N N4 1.222(7) . ?
O13N N5 1.278(7) . ?
O14N N5 1.287(7) . ?
O15N N5 1.209(7) . ?
O16N N6 1.260(8) . ?
O17N N6 1.273(8) . ?
O18N N6 1.237(7) . ?
C1 C2 1.552(9) . ?
C1P C2P 1.526(8) . ?
C1P C3P 1.539(8) . ?
C1P C4P 1.531(8) . ?
C2 C3 1.539(10) . ?
C2 C4 1.525(9) . ?
C2 C5 1.543(10) . ?
C5P C6P 1.575(9) . ?
C5P C7P 1.548(9) . ?
C5P C8P 1.529(8) . ?
C6 C7 1.536(9) . ?
C7 C8 1.475(10) . ?
C7 C9 1.528(12) . ?
C7 C10 1.511(10) . ?
C9P C10P 1.531(8) . ?
C9P C11P 1.530(8) . ?
C9P C12P 1.531(8) . ?
C13P C14P 1.550(11) . ?
C13P C15P 1.539(10) . ?
C13P C16P 1.532(11) . ?
N8 C11 1.295(9) . ?
N8 C15 1.324(8) . ?
C11 C12 1.340(10) . ?
C12 C13 1.339(11) . ?
C13 C14 1.389(11) . ?
C14 C15 1.364(9) . ?
N7 C24 1.332(8) . ?
N7 C28 1.316(8) . ?
C24 C25 1.357(9) . ?
C25 C26 1.407(10) . ?
C26 C27 1.381(9) . ?
C27 C28 1.363(9) . ?
N10 C19 1.340(9) . ?
N10 C23 1.319(9) . ?
C19 C20 1.364(11) . ?
C20 C21 1.352(11) . ?
C21 C22 1.338(11) . ?
C22 C23 1.389(10) . ?
N9 C18 1.343(13) . ?
N9 C18 1.343(13) 2_655 ?
C16 C17 1.349(14) . ?
C16 C17 1.349(14) 2_655 ?
C17 C18 1.363(15) . ?

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
O1N Dy1 O4N 111.51(14) . . ?
O1N Dy1 N1 25.35(14) . . ?
O1N Dy1 N2 89.05(15) . . ?
O1N Dy1 N3 124.86(15) . . ?
O1P Dy1 O1N 74.18(15) . . ?
O1P Dy1 O2N 125.11(15) . . ?
O1P Dy1 O4N 71.97(15) . . ?
O1P Dy1 O4P 86.89(14) . . ?
O1P Dy1 O5N 84.03(15) . . ?
O1P Dy1 O7N 141.04(15) . . ?
O1P Dy1 O8N 158.81(14) . . ?
O1P Dy1 N1 99.50(16) . . ?
O1P Dy1 N2 75.29(16) . . ?
O1P Dy1 N3 159.47(15) . . ?
O2N Dy1 O1N 51.02(14) . . ?
O2N Dy1 O4N 121.48(15) . . ?
O2N Dy1 O8N 69.05(14) . . ?
O2N Dy1 N1 25.67(14) . . ?
O2N Dy1 N2 98.37(17) . . ?
O2N Dy1 N3 73.99(15) . . ?
O4N Dy1 N1 119.65(15) . . ?
O4N Dy1 N2 25.43(14) . . ?
O4N Dy1 N3 91.98(15) . . ?
O4P Dy1 O1N 154.27(15) . . ?
O4P Dy1 O2N 145.34(15) . . ?
O4P Dy1 O4N 77.71(15) . . ?
O4P Dy1 O5N 127.98(15) . . ?
O4P Dy1 O7N 83.28(15) . . ?
O4P Dy1 O8N 76.58(14) . . ?
O4P Dy1 N1 162.58(15) . . ?
O4P Dy1 N2 103.07(17) . . ?
O4P Dy1 N3 76.99(15) . . ?
O5N Dy1 O1N 68.13(14) . . ?
O5N Dy1 O2N 73.99(15) . . ?
O5N Dy1 O4N 50.79(15) . . ?
O5N Dy1 O7N 73.02(15) . . ?
O5N Dy1 O8N 116.58(15) . . ?
O5N Dy1 N1 69.11(15) . . ?
O5N Dy1 N2 25.45(15) . . ?
O5N Dy1 N3 95.83(17) . . ?
O7N Dy1 O1N 122.37(16) . . ?
O7N Dy1 O2N 78.61(16) . . ?
O7N Dy1 O4N 69.11(14) . . ?
O7N Dy1 O8N 50.71(14) . . ?
O7N Dy1 N1 101.02(17) . . ?
O7N Dy1 N2 70.48(15) . . ?
O7N Dy1 N3 25.37(14) . . ?
O7P Dy1 O1N 76.70(14) . . ?
O7P Dy1 O1P 87.58(15) . . ?
O7P Dy1 O2N 83.35(15) . . ?
O7P Dy1 O4N 153.94(15) . . ?
O7P Dy1 O4P 85.39(15) . . ?
O7P Dy1 O5N 144.81(15) . . ?
O7P Dy1 O7N 128.77(15) . . ?
O7P Dy1 O8N 78.06(15) . . ?
O7P Dy1 N1 78.75(15) . . ?
O7P Dy1 N2 160.26(15) . . ?
O7P Dy1 N3 103.47(16) . . ?
O8N Dy1 O1N 116.62(14) . . ?
O8N Dy1 O4N 116.25(14) . . ?
O8N Dy1 N1 92.96(16) . . ?
O8N Dy1 N2 121.04(15) . . ?
O8N Dy1 N3 25.48(14) . . ?
N1 Dy1 N3 99.61(17) . . ?
N2 Dy1 N1 94.25(17) . . ?
N2 Dy1 N3 95.85(17) . . ?
Dy4 Dy2 Dy3 60.876(8) . . ?
P2 Dy2 Dy3 65.93(3) . . ?
P2 Dy2 Dy4 101.02(3) . . ?
O1OH Dy2 Dy3 35.93(9) . . ?
O1OH Dy2 Dy4 36.66(9) . . ?
O1OH Dy2 P2 99.26(10) . . ?
O1OH Dy2 O2P 128.70(14) . . ?
O1OH Dy2 O3P 70.60(13) . . ?
O1OH Dy2 O13N 141.10(15) . . ?
O1OH Dy2 O14N 142.94(14) . . ?
O1OH Dy2 N5 148.70(15) . . ?
O2 Dy2 Dy3 69.68(11) . . ?
O2 Dy2 Dy4 115.03(11) . . ?
O2 Dy2 P2 94.16(11) . . ?
O2 Dy2 O1OH 78.78(15) . . ?
O2 Dy2 O2P 103.96(14) . . ?
O2 Dy2 O3 92.71(16) . . ?
O2 Dy2 O3P 79.17(14) . . ?
O2 Dy2 O13N 72.24(16) . . ?
O2 Dy2 O14N 123.80(16) . . ?
O2 Dy2 N5 97.59(18) . . ?
O2P Dy2 Dy3 95.91(10) . . ?
O2P Dy2 Dy4 119.83(10) . . ?
O2P Dy2 P2 30.02(10) . . ?
O2P Dy2 O3P 60.16(13) . . ?
O2P Dy2 O13N 83.98(15) . . ?
O2P Dy2 O14N 78.02(14) . . ?
O2P Dy2 N5 82.50(15) . . ?
O3 Dy2 Dy3 112.47(12) . . ?
O3 Dy2 Dy4 71.84(11) . . ?
O3 Dy2 P2 171.74(11) . . ?
O3 Dy2 O1OH 77.58(15) . . ?
O3 Dy2 O2P 150.79(15) . . ?
O3 Dy2 O3P 148.11(14) . . ?
O3 Dy2 O13N 78.43(16) . . ?
O3 Dy2 O14N 72.78(16) . . ?
O3 Dy2 N5 71.51(16) . . ?
O3P Dy2 Dy3 35.80(9) . . ?
O3P Dy2 Dy4 83.69(9) . . ?
O3P Dy2 P2 30.33(9) . . ?
O3P Dy2 O14N 136.91(14) . . ?
O3P Dy2 N5 139.82(15) . . ?
O5P Dy2 Dy3 84.91(10) . . ?
O5P Dy2 Dy4 40.05(10) . . ?
O5P Dy2 P2 83.69(10) . . ?
O5P Dy2 O1OH 74.87(14) . . ?
O5P Dy2 O2 152.82(15) . . ?
O5P Dy2 O2P 87.65(14) . . ?
O5P Dy2 O3 88.11(14) . . ?
O5P Dy2 O3P 85.86(13) . . ?
O5P Dy2 O13N 134.18(15) . . ?
O5P Dy2 O14N 82.33(15) . . ?
O5P Dy2 N5 108.37(17) . . ?
O13N Dy2 Dy3 140.70(11) . . ?
O13N Dy2 Dy4 149.53(11) . . ?
O13N Dy2 P2 108.07(11) . . ?
O13N Dy2 O3P 126.46(14) . . ?
O13N Dy2 O14N 51.86(15) . . ?
O13N Dy2 N5 25.87(15) . . ?
O14N Dy2 Dy3 166.06(11) . . ?
O14N Dy2 Dy4 111.09(11) . . ?
O14N Dy2 P2 106.92(11) . . ?
O14N Dy2 N5 26.21(15) . . ?
N5 Dy2 Dy3 166.49(14) . . ?
N5 Dy2 Dy4 131.33(13) . . ?
N5 Dy2 P2 112.03(12) . . ?
Dy2 Dy3 Dy4 59.494(8) . . ?
P1 Dy3 Dy2 98.82(3) . . ?
P1 Dy3 Dy4 64.62(3) . . ?
O1 Dy3 Dy2 70.58(11) . . ?
O1 Dy3 Dy4 112.84(11) . . ?
O1 Dy3 P1 167.54(11) . . ?
O1 Dy3 O1OH 77.73(14) . . ?
O1 Dy3 O8P 146.65(14) . . ?
O1 Dy3 O9P 150.46(14) . . ?
O1 Dy3 O10N 82.82(17) . . ?
O1 Dy3 O11N 75.05(15) . . ?
O1 Dy3 N4 77.22(17) . . ?
O1OH Dy3 Dy2 35.60(10) . . ?
O1OH Dy3 Dy4 35.70(9) . . ?
O1OH Dy3 P1 97.58(10) . . ?
O1OH Dy3 O8P 68.97(13) . . ?
O1OH Dy3 O10N 145.17(16) . . ?
O1OH Dy3 O11N 144.73(15) . . ?
O1OH Dy3 N4 154.69(16) . . ?
O3P Dy3 Dy2 38.93(9) . . ?
O3P Dy3 Dy4 84.65(9) . . ?
O3P Dy3 P1 84.89(10) . . ?
O3P Dy3 O1 82.71(15) . . ?
O3P Dy3 O1OH 73.35(13) . . ?
O3P Dy3 O8P 86.04(13) . . ?
O3P Dy3 O9P 89.38(14) . . ?
O3P Dy3 O10N 132.46(15) . . ?
O3P Dy3 O11N 81.29(14) . . ?
O3P Dy3 N4 106.78(17) . . ?
O8P Dy3 Dy2 81.00(9) . . ?
O8P Dy3 Dy4 34.55(9) . . ?
O8P Dy3 P1 30.20(9) . . ?
O8P Dy3 O11N 133.91(14) . . ?
O8P Dy3 N4 136.14(16) . . ?
O9P Dy3 Dy2 118.48(10) . . ?
O9P Dy3 Dy4 94.56(10) . . ?
O9P Dy3 P1 30.01(10) . . ?
O9P Dy3 O1OH 127.06(14) . . ?
O9P Dy3 O8P 60.02(13) . . ?
O9P Dy3 O10N 81.75(17) . . ?
O9P Dy3 O11N 75.64(15) . . ?
O9P Dy3 N4 77.97(17) . . ?
O10N Dy3 Dy2 152.45(13) . . ?
O10N Dy3 Dy4 142.35(12) . . ?
O10N Dy3 P1 106.63(14) . . ?
O10N Dy3 O8P 126.53(16) . . ?
O10N Dy3 O11N 51.23(16) . . ?
O10N Dy3 N4 25.69(16) . . ?
O11N Dy3 Dy2 112.57(11) . . ?
O11N Dy3 Dy4 162.88(11) . . ?
O11N Dy3 P1 104.24(11) . . ?
O11N Dy3 N4 25.54(16) . . ?
O11P Dy3 Dy2 114.69(11) . . ?
O11P Dy3 Dy4 72.04(11) . . ?
O11P Dy3 P1 96.89(12) . . ?
O11P Dy3 O1 93.63(16) . . ?
O11P Dy3 O1OH 79.66(15) . . ?
O11P Dy3 O3P 152.94(14) . . ?
O11P Dy3 O8P 82.46(14) . . ?
O11P Dy3 O9P 105.64(15) . . ?
O11P Dy3 O10N 73.00(16) . . ?
O11P Dy3 O11N 123.80(16) . . ?
O11P Dy3 N4 98.42(18) . . ?
N4 Dy3 Dy2 134.42(14) . . ?
N4 Dy3 Dy4 166.06(14) . . ?
N4 Dy3 P1 107.68(14) . . ?
Dy2 Dy4 Dy3 59.630(8) . . ?
P3 Dy4 Dy2 65.72(3) . . ?
P3 Dy4 Dy3 98.91(3) . . ?
O1OH Dy4 Dy2 35.90(10) . . ?
O1OH Dy4 Dy3 35.28(10) . . ?
O1OH Dy4 P3 98.46(10) . . ?
O1OH Dy4 O5P 70.34(13) . . ?
O1OH Dy4 O6P 127.03(13) . . ?
O1OH Dy4 O16N 145.57(15) . . ?
O1OH Dy4 O17N 146.36(15) . . ?
O1OH Dy4 N6 156.13(16) . . ?
O4 Dy4 Dy2 68.19(11) . . ?
O4 Dy4 Dy3 113.51(11) . . ?
O4 Dy4 P3 94.14(12) . . ?
O4 Dy4 O1OH 78.43(14) . . ?
O4 Dy4 O5P 79.57(14) . . ?
O4 Dy4 O6P 105.37(15) . . ?
O4 Dy4 O8P 149.79(14) . . ?
O4 Dy4 O16N 73.11(17) . . ?
O4 Dy4 O17N 123.78(16) . . ?
O4 Dy4 N6 98.18(19) . . ?
O5P Dy4 Dy2 36.13(9) . . ?
O5P Dy4 Dy3 81.28(9) . . ?
O5P Dy4 P3 29.67(9) . . ?
O5P Dy4 O17N 133.41(14) . . ?
O5P Dy4 N6 132.76(16) . . ?
O6P Dy4 Dy2 95.21(10) . . ?
O6P Dy4 Dy3 117.04(9) . . ?
O6P Dy4 P3 29.50(10) . . ?
O6P Dy4 O5P 59.10(13) . . ?
O6P Dy4 O16N 79.84(15) . . ?
O6P Dy4 O17N 75.13(15) . . ?
O6P Dy4 N6 76.77(16) . . ?
O8P Dy4 Dy2 83.64(10) . . ?
O8P Dy4 Dy3 38.27(9) . . ?
O8P Dy4 P3 83.50(10) . . ?
O8P Dy4 O1OH 72.20(13) . . ?
O8P Dy4 O5P 84.02(13) . . ?
O8P Dy4 O6P 87.25(13) . . ?
O8P Dy4 O16N 136.88(16) . . ?
O8P Dy4 O17N 85.71(15) . . ?
O8P Dy4 N6 111.53(18) . . ?
O10P Dy4 Dy2 111.95(12) . . ?
O10P Dy4 Dy3 74.24(11) . . ?
O10P Dy4 P3 172.57(12) . . ?
O10P Dy4 O1OH 77.68(15) . . ?
O10P Dy4 O4 91.31(17) . . ?
O10P Dy4 O5P 147.87(14) . . ?
O10P Dy4 O6P 152.05(15) . . ?
O10P Dy4 O8P 89.25(15) . . ?
O10P Dy4 O16N 83.93(17) . . ?
O10P Dy4 O17N 76.96(16) . . ?
O10P Dy4 N6 78.80(17) . . ?
O16N Dy4 Dy2 138.09(13) . . ?
O16N Dy4 Dy3 157.10(13) . . ?
O16N Dy4 P3 102.48(13) . . ?
O16N Dy4 O5P 121.58(16) . . ?
O16N Dy4 O17N 51.25(17) . . ?
O16N Dy4 N6 25.44(17) . . ?
O17N Dy4 Dy2 165.96(11) . . ?
O17N Dy4 Dy3 115.35(12) . . ?
O17N Dy4 P3 104.01(11) . . ?
O17N Dy4 N6 25.83(17) . . ?
N6 Dy4 Dy2 162.09(16) . . ?
N6 Dy4 Dy3 138.27(16) . . ?
N6 Dy4 P3 105.36(13) . . ?
O7P P1 Dy3 125.19(18) . . ?
O7P P1 O8P 113.8(2) . . ?
O7P P1 O9P 114.1(2) . . ?
O7P P1 C1P 106.6(3) . . ?
O8P P1 Dy3 54.37(15) . . ?
O8P P1 O9P 102.8(2) . . ?
O8P P1 C1P 111.0(2) . . ?
O9P P1 Dy3 48.79(15) . . ?
O9P P1 C1P 108.5(3) . . ?
C1P P1 Dy3 128.0(2) . . ?
O1P P2 Dy2 124.93(17) . . ?
O1P P2 O2P 114.3(2) . . ?
O1P P2 O3P 113.7(2) . . ?
O1P P2 C5P 106.9(3) . . ?
O2P P2 Dy2 48.87(14) . . ?
O2P P2 C5P 108.3(3) . . ?
O3P P2 Dy2 54.00(15) . . ?
O3P P2 O2P 102.4(2) . . ?
O3P P2 C5P 111.2(3) . . ?
C5P P2 Dy2 128.0(2) . . ?
O4P P3 Dy4 127.94(18) . . ?
O4P P3 O5P 114.8(2) . . ?
O4P P3 O6P 113.7(2) . . ?
O4P P3 C9P 107.5(3) . . ?
O5P P3 Dy4 54.10(16) . . ?
O5P P3 O6P 103.0(2) . . ?
O5P P3 C9P 109.5(3) . . ?
O6P P3 Dy4 49.06(16) . . ?
O6P P3 C9P 108.1(3) . . ?
C9P P3 Dy4 124.4(2) . . ?
O10P P4 O12P 110.8(3) . . ?
O10P P4 C13P 109.1(3) . . ?
O11P P4 O10P 114.9(3) . . ?
O11P P4 O12P 108.0(3) . . ?
O11P P4 C13P 108.4(3) . . ?
O12P P4 C13P 105.2(3) . . ?
C1 O1 Dy3 135.7(4) . . ?
N1 O1N Dy1 94.7(4) . . ?
Dy2 O1OH Dy3 108.47(15) . . ?
Dy2 O1OH Dy4 107.44(16) . . ?
Dy3 O1OH Dy4 109.02(16) . . ?
P2 O1P Dy1 157.4(2) . . ?
C1 O2 Dy2 137.2(4) . . ?
N1 O2N Dy1 96.2(4) . . ?
P2 O2P Dy2 101.11(19) . . ?
C6 O3 Dy2 131.7(4) . . ?
Dy3 O3P Dy2 105.27(14) . . ?
P2 O3P Dy2 95.66(19) . . ?
P2 O3P Dy3 157.5(2) . . ?
C6 O4 Dy4 140.9(4) . . ?
N2 O4N Dy1 94.1(4) . . ?
P3 O4P Dy1 152.2(3) . . ?
N2 O5N Dy1 98.0(4) . . ?
Dy2 O5P Dy4 103.83(15) . . ?
P3 O5P Dy2 159.3(2) . . ?
P3 O5P Dy4 96.23(19) . . ?
P3 O6P Dy4 101.4(2) . . ?
N3 O7N Dy1 97.0(4) . . ?
P1 O7P Dy1 156.6(3) . . ?
N3 O8N Dy1 95.4(4) . . ?
Dy4 O8P Dy3 107.17(15) . . ?
P1 O8P Dy3 95.43(18) . . ?
P1 O8P Dy4 156.4(2) . . ?
P1 O9P Dy3 101.20(19) . . ?
N4 O10N Dy3 96.6(4) . . ?
P4 O10P Dy4 137.4(3) . . ?
N4 O11N Dy3 93.9(4) . . ?
P4 O11P Dy3 140.1(3) . . ?
N5 O13N Dy2 97.3(4) . . ?
N5 O14N Dy2 94.1(4) . . ?
N6 O16N Dy4 96.8(4) . . ?
N6 O17N Dy4 94.3(4) . . ?
O1N N1 Dy1 59.9(3) . . ?
O1N N1 O2N 118.1(6) . . ?
O2N N1 Dy1 58.1(3) . . ?
O3N N1 Dy1 178.0(5) . . ?
O3N N1 O1N 120.8(6) . . ?
O3N N1 O2N 121.1(6) . . ?
O4N N2 Dy1 60.5(3) . . ?
O4N N2 O5N 116.8(6) . . ?
O5N N2 Dy1 56.6(3) . . ?
O6N N2 Dy1 174.0(5) . . ?
O6N N2 O4N 122.6(6) . . ?
O6N N2 O5N 120.6(6) . . ?
O7N N3 Dy1 57.6(3) . . ?
O7N N3 O8N 116.2(6) . . ?
O8N N3 Dy1 59.1(3) . . ?
O9N N3 Dy1 174.0(5) . . ?
O9N N3 O7N 122.4(6) . . ?
O9N N3 O8N 121.4(6) . . ?
O10N N4 Dy3 57.7(3) . . ?
O11N N4 Dy3 60.5(3) . . ?
O11N N4 O10N 118.2(6) . . ?
O12N N4 Dy3 177.5(6) . . ?
O12N N4 O10N 121.2(7) . . ?
O12N N4 O11N 120.7(7) . . ?
O13N N5 Dy2 56.8(3) . . ?
O13N N5 O14N 115.7(6) . . ?
O14N N5 Dy2 59.7(3) . . ?
O15N N5 Dy2 171.9(5) . . ?
O15N N5 O13N 123.0(7) . . ?
O15N N5 O14N 121.2(7) . . ?
O16N N6 Dy4 57.8(3) . . ?
O16N N6 O17N 117.6(6) . . ?
O17N N6 Dy4 59.9(3) . . ?
O18N N6 Dy4 178.3(6) . . ?
O18N N6 O16N 120.8(7) . . ?
O18N N6 O17N 121.6(7) . . ?
O1 C1 O2 125.2(6) . . ?
O1 C1 C2 116.9(6) . . ?
O2 C1 C2 118.0(6) . . ?
C2P C1P P1 108.6(4) . . ?
C2P C1P C3P 109.2(5) . . ?
C2P C1P C4P 111.0(6) . . ?
C3P C1P P1 107.8(4) . . ?
C4P C1P P1 110.7(5) . . ?
C4P C1P C3P 109.4(5) . . ?
C3 C2 C1 110.8(6) . . ?
C3 C2 C5 110.9(6) . . ?
C4 C2 C1 105.8(5) . . ?
C4 C2 C3 110.9(6) . . ?
C4 C2 C5 108.9(6) . . ?
C5 C2 C1 109.4(6) . . ?
C6P C5P P2 106.0(4) . . ?
C7P C5P P2 109.9(4) . . ?
C7P C5P C6P 110.3(6) . . ?
C8P C5P P2 110.4(4) . . ?
C8P C5P C6P 108.7(5) . . ?
C8P C5P C7P 111.4(6) . . ?
O3 C6 O4 125.0(6) . . ?
O3 C6 C7 118.2(7) . . ?
O4 C6 C7 116.7(6) . . ?
C8 C7 C6 106.4(6) . . ?
C8 C7 C9 111.6(8) . . ?
C8 C7 C10 109.6(7) . . ?
C9 C7 C6 109.1(6) . . ?
C10 C7 C6 111.3(6) . . ?
C10 C7 C9 108.9(8) . . ?
C10P C9P P3 109.3(4) . . ?
C11P C9P P3 109.7(4) . . ?
C11P C9P C10P 111.1(5) . . ?
C11P C9P C12P 110.0(5) . . ?
C12P C9P P3 108.8(4) . . ?
C12P C9P C10P 107.9(5) . . ?
C14P C13P P4 108.6(5) . . ?
C15P C13P P4 108.7(6) . . ?
C15P C13P C14P 109.2(7) . . ?
C16P C13P P4 108.7(6) . . ?
C16P C13P C14P 110.8(7) . . ?
C16P C13P C15P 110.8(7) . . ?
C11 N8 C15 121.5(7) . . ?
N8 C11 C12 120.8(8) . . ?
C13 C12 C11 120.3(9) . . ?
C12 C13 C14 119.1(8) . . ?
C15 C14 C13 117.6(7) . . ?
N8 C15 C14 120.5(7) . . ?
C28 N7 C24 122.7(6) . . ?
N7 C24 C25 119.2(7) . . ?
C24 C25 C26 120.8(7) . . ?
C27 C26 C25 116.7(7) . . ?
C28 C27 C26 120.5(7) . . ?
N7 C28 C27 120.2(6) . . ?
C23 N10 C19 122.8(7) . . ?
N10 C19 C20 118.2(8) . . ?
C21 C20 C19 119.7(9) . . ?
C22 C21 C20 121.8(8) . . ?
C21 C22 C23 117.8(8) . . ?
N10 C23 C22 119.7(8) . . ?
C18 N9 C18 116.3(19) 2_655 . ?
C17 C16 C17 129(2) . 2_655 ?
C16 C17 C18 112.4(14) . . ?
N9 C18 C17 125.0(14) . . ?

_olex2_submission_special_instructions 'No special instructions were received'





_database_code_depnum_ccdc_archive 'CCDC 1021470'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_Er4P4
_audit_creation_date             2014-08-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H56 Er4 N6 O35 P4, 4(C5 H6 N)'
_chemical_formula_sum            'C46 H80 Er4 N10 O35 P4'
_chemical_formula_weight         2084.05
_chemical_melting_point          ?
_chemical_oxdiff_formula         Er4P4O20H100C50N4
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'
Er Er -0.2586 4.9576 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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'

_cell_length_a                   44.7348(10)
_cell_length_b                   19.1138(4)
_cell_length_c                   23.8851(4)
_cell_angle_alpha                90
_cell_angle_beta                 91.3155(18)
_cell_angle_gamma                90
_cell_volume                     20417.6(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    13812
_cell_measurement_temperature    150.03(18)
_cell_measurement_theta_max      27.7920
_cell_measurement_theta_min      3.3340
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.382
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.55136
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             8116
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_av_unetI/netI     0.0645
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            54167
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         3.009
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.03(18)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0714
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -64.00   54.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -25.3942   77.0000  -30.0000 118

#__ type_ start__ end____ width___ exp.time_
  2 omega  -65.00   53.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -25.3942   77.0000 -150.0000 118

#__ type_ start__ end____ width___ exp.time_
  3 omega  -14.00  104.00   1.0000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       25.8629   77.0000   90.0000 118
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0033212000
_diffrn_orient_matrix_UB_12      0.0355863000
_diffrn_orient_matrix_UB_13      0.0055632000
_diffrn_orient_matrix_UB_21      0.0154980000
_diffrn_orient_matrix_UB_22      0.0078275000
_diffrn_orient_matrix_UB_23      0.0009177000
_diffrn_orient_matrix_UB_31      -0.0005035000
_diffrn_orient_matrix_UB_32      0.0069750000
_diffrn_orient_matrix_UB_33      -0.0291761000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15116
_reflns_number_total             20804
_reflns_odcompleteness_completeness 99.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48)'
_computing_data_collection       
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48)'
_computing_data_reduction        
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.194
_refine_diff_density_min         -1.749
_refine_diff_density_rms         0.127
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     872
_refine_ls_number_reflns         20804
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0370
_refine_ls_restrained_S_all      0.994
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0437P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
_refine_ls_wR_factor_ref         0.0962
_refine_special_details          ?
_olex2_refinement_description    
;
Big solvent Voids are obtained during the first 
modelling of the data, due to non-localised solvent molecules. 
In order to get an idea of how many solvent molecules occupies the 
empty space, a SQUEZZE procedure was performed. A total of 1291 
electron counts were found, which were attributed to a total of 
31 molecules of isobutanol (42 electron counts per molecule). 
These molecules have been added to the molecular formula in the cif file
and not to the _chemical_formula_sum.

_chemical_formula_moiety          'C26 H56 Er4 N6 O35 P4, 4(C5 H6 N), 31(C5 H5 N)'
_chemical_formula_sum             'C201 H235 Er4 N41 O35 P4'
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Er1 Er 0.73986(2) 0.11752(2) 0.29981(2) 0.02404(6) Uani 1 1 d . . . . .
Er2 Er 0.62023(2) 0.05258(2) 0.28075(2) 0.02760(7) Uani 1 1 d . . . . .
Er3 Er 0.63017(2) 0.24496(2) 0.30682(2) 0.02747(7) Uani 1 1 d . . . . .
Er4 Er 0.64133(2) 0.16940(2) 0.16187(2) 0.03072(7) Uani 1 1 d . . . . .
P1 P 0.69229(3) 0.26325(7) 0.26148(6) 0.0258(3) Uani 1 1 d . . . . .
P2 P 0.66884(3) 0.08658(7) 0.36586(5) 0.0247(3) Uani 1 1 d . . . . .
P3 P 0.68803(3) 0.05799(8) 0.19104(5) 0.0260(3) Uani 1 1 d . . . . .
P4 P 0.59638(4) 0.31519(12) 0.18493(8) 0.0599(5) Uani 1 1 d . . . . .
O1N O 0.74572(8) 0.2003(2) 0.38186(15) 0.0338(9) Uani 1 1 d . . . . .
O1OH O 0.61310(8) 0.16193(19) 0.24260(14) 0.0312(9) Uani 1 1 d . . . . .
O1P O 0.71773(8) 0.21392(19) 0.27085(15) 0.0312(9) Uani 1 1 d . . . . .
O2N O 0.78183(8) 0.1985(2) 0.32281(15) 0.0377(9) Uani 1 1 d . . . . .
O2P O 0.66525(8) 0.23065(18) 0.22961(14) 0.0279(8) Uani 1 1 d . . . . .
O3N O 0.78372(11) 0.2688(3) 0.3941(2) 0.0664(14) Uani 1 1 d . . . . .
O3P O 0.67807(8) 0.28964(19) 0.31636(14) 0.0298(8) Uani 1 1 d . . . . .
O4N O 0.74086(9) -0.0099(2) 0.32988(16) 0.0370(9) Uani 1 1 d . . . . .
O4P O 0.70084(7) 0.09876(19) 0.35259(14) 0.0291(8) Uani 1 1 d . . . . .
O5N O 0.76740(9) 0.0634(2) 0.37765(16) 0.0390(10) Uani 1 1 d . . . . .
O5P O 0.65641(8) 0.01528(19) 0.34494(14) 0.0295(8) Uani 1 1 d . . . . .
O6N O 0.76395(14) -0.0435(2) 0.40608(18) 0.0775(18) Uani 1 1 d . . . . .
O6P O 0.64739(7) 0.13921(18) 0.33794(13) 0.0246(8) Uani 1 1 d . . . . .
O7N O 0.78299(9) 0.0557(2) 0.25963(17) 0.0415(10) Uani 1 1 d . . . . .
O7P O 0.71404(7) 0.06424(19) 0.23095(14) 0.0301(9) Uani 1 1 d . . . . .
O8N O 0.76861(8) 0.1466(2) 0.21340(15) 0.0337(9) Uani 1 1 d . . . . .
O8P O 0.65719(7) 0.06658(19) 0.21810(13) 0.0287(8) Uani 1 1 d . . . . .
O9N O 0.80230(11) 0.0798(3) 0.1779(2) 0.0665(15) Uani 1 1 d . . . . .
O9P O 0.68720(8) 0.11440(19) 0.14468(14) 0.0311(9) Uani 1 1 d . . . . .
O10N O 0.63625(9) 0.2718(2) 0.40896(16) 0.0396(10) Uani 1 1 d . . . . .
O10P O 0.60655(10) 0.3144(2) 0.24451(18) 0.0541(7) Uani 1 1 d . . . . .
O11N O 0.61844(10) 0.3525(2) 0.35540(19) 0.0530(12) Uani 1 1 d . . . . .
O11P O 0.60868(10) 0.2577(2) 0.14967(18) 0.0541(7) Uani 1 1 d . . . . .
O12N O 0.62254(16) 0.3704(3) 0.4447(2) 0.103(2) Uani 1 1 d . . . . .
O12P O 0.60380(10) 0.3890(2) 0.15857(18) 0.0541(7) Uani 1 1 d . . . . .
O13N O 0.59236(9) -0.0474(2) 0.31472(17) 0.0439(10) Uani 1 1 d . . . . .
O14N O 0.62624(9) -0.0728(2) 0.25487(17) 0.0424(10) Uani 1 1 d . . . . .
O15N O 0.59453(11) -0.1528(2) 0.2798(2) 0.0681(15) Uani 1 1 d . . . . .
O16N O 0.64024(10) 0.1678(3) 0.05897(16) 0.0551(12) Uani 1 1 d . . . . .
O17N O 0.66698(10) 0.2498(2) 0.09634(18) 0.0499(12) Uani 1 1 d . . . . .
O18N O 0.66216(12) 0.2427(3) 0.00500(18) 0.0787(17) Uani 1 1 d . . . . .
O37 O 0.58653(8) 0.2090(2) 0.34607(15) 0.0361(9) Uani 1 1 d . . . . .
O41 O 0.58266(8) 0.0939(2) 0.33560(15) 0.0365(9) Uani 1 1 d . . . . .
O44 O 0.60613(9) 0.0910(2) 0.13526(15) 0.0410(10) Uani 1 1 d . . . . .
O48 O 0.58824(8) 0.0298(2) 0.20627(15) 0.0381(10) Uani 1 1 d . . . . .
N1 N 0.77062(12) 0.2237(3) 0.3673(2) 0.0408(12) Uani 1 1 d . . . . .
N2 N 0.75723(12) 0.0012(3) 0.3717(2) 0.0426(13) Uani 1 1 d . . . . .
N3 N 0.78516(11) 0.0933(3) 0.2163(2) 0.0404(12) Uani 1 1 d . . . . .
N4 N 0.62559(13) 0.3315(3) 0.4047(2) 0.0558(16) Uani 1 1 d . . . . .
N5 N 0.60423(11) -0.0932(3) 0.2827(2) 0.0420(12) Uani 1 1 d . . . . .
N6 N 0.65656(13) 0.2213(3) 0.0520(2) 0.0534(15) Uani 1 1 d . . . . .
C1 C 0.57442(12) 0.1504(3) 0.3566(2) 0.0345(14) Uani 1 1 d . . . . .
C1P C 0.70694(12) 0.3372(3) 0.2230(2) 0.0312(13) Uani 1 1 d . . . . .
C2 C 0.54974(13) 0.1500(3) 0.3999(3) 0.0437(15) Uani 1 1 d . . . . .
C2P C 0.72332(14) 0.3084(3) 0.1721(2) 0.0450(16) Uani 1 1 d . . . . .
H2PA H 0.7390 0.2775 0.1846 0.067 Uiso 1 1 calc GR . . . .
H2PB H 0.7317 0.3464 0.1515 0.067 Uiso 1 1 calc GR . . . .
H2PC H 0.7095 0.2832 0.1484 0.067 Uiso 1 1 calc GR . . . .
C3 C 0.54239(15) 0.0770(4) 0.4187(3) 0.0575(19) Uani 1 1 d . . . . .
H3A H 0.5599 0.0558 0.4353 0.086 Uiso 1 1 calc GR . . . .
H3B H 0.5357 0.0498 0.3870 0.086 Uiso 1 1 calc GR . . . .
H3C H 0.5269 0.0789 0.4458 0.086 Uiso 1 1 calc GR . . . .
C3P C 0.68188(14) 0.3857(3) 0.2042(3) 0.0503(17) Uani 1 1 d . . . . .
H3PA H 0.6685 0.3613 0.1789 0.075 Uiso 1 1 calc GR . . . .
H3PB H 0.6901 0.4255 0.1856 0.075 Uiso 1 1 calc GR . . . .
H3PC H 0.6711 0.4010 0.2363 0.075 Uiso 1 1 calc GR . . . .
C4 C 0.52268(14) 0.1828(4) 0.3698(3) 0.065(2) Uani 1 1 d . . . . .
H4A H 0.5175 0.1556 0.3372 0.097 Uiso 1 1 calc GR . . . .
H4B H 0.5275 0.2297 0.3587 0.097 Uiso 1 1 calc GR . . . .
H4C H 0.5061 0.1837 0.3946 0.097 Uiso 1 1 calc GR . . . .
C4P C 0.72954(14) 0.3750(3) 0.2620(3) 0.0482(17) Uani 1 1 d . . . . .
H4PA H 0.7192 0.3962 0.2924 0.072 Uiso 1 1 calc GR . . . .
H4PB H 0.7397 0.4105 0.2413 0.072 Uiso 1 1 calc GR . . . .
H4PC H 0.7438 0.3419 0.2766 0.072 Uiso 1 1 calc GR . . . .
C5 C 0.55890(16) 0.1949(4) 0.4504(3) 0.070(2) Uani 1 1 d . . . . .
H5A H 0.5437 0.1925 0.4779 0.106 Uiso 1 1 calc GR . . . .
H5B H 0.5614 0.2425 0.4386 0.106 Uiso 1 1 calc GR . . . .
H5C H 0.5774 0.1778 0.4662 0.106 Uiso 1 1 calc GR . . . .
C5P C 0.66632(12) 0.0885(3) 0.4420(2) 0.0304(13) Uani 1 1 d . . . . .
C6 C 0.58953(12) 0.0442(3) 0.1553(2) 0.0370(14) Uani 1 1 d . . . . .
C6P C 0.68181(16) 0.0205(4) 0.4640(2) 0.0521(18) Uani 1 1 d . . . . .
H6PA H 0.6702 -0.0194 0.4526 0.078 Uiso 1 1 calc GR . . . .
H6PB H 0.6834 0.0220 0.5041 0.078 Uiso 1 1 calc GR . . . .
H6PC H 0.7014 0.0171 0.4488 0.078 Uiso 1 1 calc GR . . . .
C7 C 0.56928(13) 0.0054(4) 0.1142(2) 0.0449(17) Uani 1 1 d . . . . .
C7P C 0.63350(13) 0.0908(4) 0.4584(2) 0.0456(16) Uani 1 1 d . . . . .
H7PA H 0.6248 0.1342 0.4463 0.068 Uiso 1 1 calc GR . . . .
H7PB H 0.6322 0.0869 0.4984 0.068 Uiso 1 1 calc GR . . . .
H7PC H 0.6229 0.0526 0.4409 0.068 Uiso 1 1 calc GR . . . .
C8 C 0.5629(2) -0.0691(5) 0.1380(4) 0.125(4) Uani 1 1 d . . . . .
H8A H 0.5806 -0.0867 0.1566 0.187 Uiso 1 1 calc GR . . . .
H8B H 0.5572 -0.0999 0.1078 0.187 Uiso 1 1 calc GR . . . .
H8C H 0.5469 -0.0664 0.1641 0.187 Uiso 1 1 calc GR . . . .
C8P C 0.68338(13) 0.1525(3) 0.4651(2) 0.0436(16) Uani 1 1 d . . . . .
H8PA H 0.7037 0.1511 0.4528 0.065 Uiso 1 1 calc GR . . . .
H8PB H 0.6832 0.1519 0.5053 0.065 Uiso 1 1 calc GR . . . .
H8PC H 0.6739 0.1945 0.4515 0.065 Uiso 1 1 calc GR . . . .
C9 C 0.58362(17) -0.0039(6) 0.0589(3) 0.102(4) Uani 1 1 d . . . . .
H9A H 0.5886 0.0410 0.0439 0.152 Uiso 1 1 calc GR . . . .
H9B H 0.5700 -0.0274 0.0336 0.152 Uiso 1 1 calc GR . . . .
H9C H 0.6015 -0.0314 0.0637 0.152 Uiso 1 1 calc GR . . . .
C9P C 0.69036(12) -0.0268(3) 0.1574(2) 0.0306(12) Uani 1 1 d . . . . .
C10 C 0.54072(15) 0.0451(5) 0.1088(4) 0.094(3) Uani 1 1 d . . . . .
H10A H 0.5301 0.0419 0.1432 0.140 Uiso 1 1 calc GR . . . .
H10B H 0.5287 0.0257 0.0788 0.140 Uiso 1 1 calc GR . . . .
H10C H 0.5450 0.0933 0.1008 0.140 Uiso 1 1 calc GR . . . .
C10P C 0.71856(13) -0.0287(3) 0.1208(2) 0.0405(15) Uani 1 1 d . . . . .
H10D H 0.7166 0.0054 0.0915 0.061 Uiso 1 1 calc GR . . . .
H10E H 0.7206 -0.0744 0.1048 0.061 Uiso 1 1 calc GR . . . .
H10F H 0.7359 -0.0182 0.1437 0.061 Uiso 1 1 calc GR . . . .
C11P C 0.66205(12) -0.0399(3) 0.1210(2) 0.0381(14) Uani 1 1 d . . . . .
H11A H 0.6451 -0.0444 0.1446 0.057 Uiso 1 1 calc GR . . . .
H11B H 0.6645 -0.0822 0.0999 0.057 Uiso 1 1 calc GR . . . .
H11C H 0.6590 -0.0013 0.0958 0.057 Uiso 1 1 calc GR . . . .
C12P C 0.69330(13) -0.0841(3) 0.2034(2) 0.0389(14) Uani 1 1 d . . . . .
H12A H 0.7108 -0.0753 0.2263 0.058 Uiso 1 1 calc GR . . . .
H12B H 0.6950 -0.1292 0.1860 0.058 Uiso 1 1 calc GR . . . .
H12C H 0.6759 -0.0833 0.2262 0.058 Uiso 1 1 calc GR . . . .
C13P C 0.55654(16) 0.3117(4) 0.1821(3) 0.063(2) Uani 1 1 d . . . . .
C14P C 0.54566(17) 0.2417(5) 0.2086(4) 0.088(3) Uani 1 1 d . . . . .
H14A H 0.5541 0.2029 0.1890 0.133 Uiso 1 1 calc GR . . . .
H14B H 0.5242 0.2393 0.2059 0.133 Uiso 1 1 calc GR . . . .
H14C H 0.5519 0.2399 0.2473 0.133 Uiso 1 1 calc GR . . . .
C15P C 0.5465(2) 0.3127(6) 0.1207(3) 0.099(3) Uani 1 1 d . . . . .
H15A H 0.5548 0.3530 0.1027 0.149 Uiso 1 1 calc GR . . . .
H15B H 0.5251 0.3147 0.1181 0.149 Uiso 1 1 calc GR . . . .
H15C H 0.5534 0.2710 0.1026 0.149 Uiso 1 1 calc GR . . . .
C16P C 0.5447(2) 0.3718(6) 0.2161(4) 0.123(4) Uani 1 1 d . . . . .
H16A H 0.5522 0.3682 0.2540 0.184 Uiso 1 1 calc GR . . . .
H16B H 0.5232 0.3702 0.2157 0.184 Uiso 1 1 calc GR . . . .
H16C H 0.5511 0.4153 0.2003 0.184 Uiso 1 1 calc GR . . . .
N8 N 0.79948(11) 0.1432(3) 0.5978(2) 0.0427(13) Uani 1 1 d . . . . .
H8 H 0.8051 0.1711 0.6242 0.051 Uiso 1 1 calc R . . . .
C11 C 0.78394(14) 0.1693(4) 0.5544(3) 0.0475(16) Uani 1 1 d . . . . .
H11 H 0.7794 0.2167 0.5530 0.057 Uiso 1 1 calc R . . . .
C12 C 0.77470(15) 0.1258(4) 0.5118(3) 0.0545(18) Uani 1 1 d . . . . .
H12 H 0.7639 0.1431 0.4811 0.065 Uiso 1 1 calc R . . . .
C13 C 0.78185(18) 0.0557(4) 0.5153(3) 0.066(2) Uani 1 1 d . . . . .
H13 H 0.7762 0.0250 0.4868 0.080 Uiso 1 1 calc R . . . .
C14 C 0.7976(2) 0.0319(4) 0.5618(3) 0.085(3) Uani 1 1 d . . . . .
H14 H 0.8020 -0.0154 0.5654 0.102 Uiso 1 1 calc R . . . .
C15 C 0.80652(19) 0.0770(4) 0.6018(3) 0.068(2) Uani 1 1 d . . . . .
H15 H 0.8178 0.0611 0.6325 0.082 Uiso 1 1 calc R . . . .
N9 N 0.66852(13) -0.1157(3) 0.3561(2) 0.0507(14) Uani 1 1 d . . . . .
H9 H 0.6678 -0.0708 0.3580 0.061 Uiso 1 1 calc R . . . .
C21 C 0.69145(16) -0.1454(4) 0.3324(3) 0.0589(19) Uani 1 1 d . . . . .
H21 H 0.7069 -0.1183 0.3186 0.071 Uiso 1 1 calc R . . . .
C22 C 0.6924(2) -0.2178(4) 0.3280(3) 0.069(2) Uani 1 1 d . . . . .
H22 H 0.7084 -0.2397 0.3108 0.083 Uiso 1 1 calc R . . . .
C23 C 0.6704(2) -0.2550(5) 0.3488(4) 0.082(3) Uani 1 1 d . . . . .
H23 H 0.6709 -0.3035 0.3458 0.098 Uiso 1 1 calc R . . . .
C24 C 0.64724(19) -0.2244(4) 0.3740(4) 0.072(2) Uani 1 1 d . . . . .
H24 H 0.6320 -0.2513 0.3890 0.086 Uiso 1 1 calc R . . . .
C25 C 0.64649(18) -0.1529(4) 0.3772(3) 0.065(2) Uani 1 1 d . . . . .
H25 H 0.6306 -0.1306 0.3942 0.078 Uiso 1 1 calc R . . . .
N7 N 0.72701(12) -0.1451(3) 0.5709(2) 0.0432(13) Uani 1 1 d . . . . .
H7 H 0.7147 -0.1390 0.5975 0.052 Uiso 1 1 calc R . . . .
C16 C 0.75543(15) -0.1605(3) 0.5838(2) 0.0453(16) Uani 1 1 d . . . . .
H16 H 0.7615 -0.1642 0.6212 0.054 Uiso 1 1 calc R . . . .
C17 C 0.77529(15) -0.1708(3) 0.5433(2) 0.0486(17) Uani 1 1 d . . . . .
H17 H 0.7951 -0.1816 0.5523 0.058 Uiso 1 1 calc R . . . .
C18 C 0.76600(16) -0.1651(3) 0.4880(3) 0.0483(17) Uani 1 1 d . . . . .
H18 H 0.7794 -0.1718 0.4594 0.058 Uiso 1 1 calc R . . . .
C19 C 0.73659(17) -0.1494(4) 0.4759(3) 0.0541(18) Uani 1 1 d . . . . .
H19 H 0.7298 -0.1459 0.4389 0.065 Uiso 1 1 calc R . . . .
C20 C 0.71730(14) -0.1389(3) 0.5189(2) 0.0439(16) Uani 1 1 d . . . . .
H20 H 0.6974 -0.1274 0.5112 0.053 Uiso 1 1 calc R . . . .
N10 N 0.5000 0.0194(9) 0.2500 0.156(6) Uani 1 2 d S TU P . .
H10 H 0.5000 0.0644 0.2500 0.187 Uiso 1 2 calc RS T P . .
C26 C 0.5000 -0.1169(10) 0.2500 0.114(6) Uani 1 2 d S T P . .
H26 H 0.5000 -0.1655 0.2500 0.136 Uiso 1 2 calc RS T P . .
C27 C 0.4777(3) -0.0838(8) 0.2257(6) 0.120(4) Uani 1 1 d . . . . .
H27 H 0.4625 -0.1095 0.2082 0.144 Uiso 1 1 calc R . . . .
C28 C 0.4761(2) -0.0147(9) 0.2253(4) 0.107(4) Uani 1 1 d . . . . .
H28 H 0.4599 0.0091 0.2094 0.128 Uiso 1 1 calc R . . . .


_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
Er1 O1N 2.528(4) . ?
Er1 O1P 2.196(4) . ?
Er1 O2N 2.486(4) . ?
Er1 O4N 2.539(4) . ?
Er1 O4P 2.206(3) . ?
Er1 O5N 2.437(4) . ?
Er1 O7N 2.475(4) . ?
Er1 O7P 2.234(3) . ?
Er1 O8N 2.519(3) . ?
Er1 N1 2.917(5) . ?
Er1 N2 2.904(5) . ?
Er1 N3 2.912(5) . ?
Er2 Er3 3.7542(4) . ?
Er2 Er4 3.7500(3) . ?
Er2 P2 3.0137(14) . ?
Er2 O1OH 2.299(4) . ?
Er2 O5P 2.316(3) . ?
Er2 O6P 2.451(3) . ?
Er2 O8P 2.271(3) . ?
Er2 O13N 2.430(4) . ?
Er2 O14N 2.491(4) . ?
Er2 O41 2.295(4) . ?
Er2 O48 2.299(4) . ?
Er2 N5 2.878(5) . ?
Er3 Er4 3.7949(3) . ?
Er3 P1 3.0257(14) . ?
Er3 O1OH 2.324(4) . ?
Er3 O2P 2.464(3) . ?
Er3 O3P 2.313(3) . ?
Er3 O6P 2.281(3) . ?
Er3 O10N 2.502(4) . ?
Er3 O10P 2.241(4) . ?
Er3 O11N 2.424(4) . ?
Er3 O37 2.290(4) . ?
Er3 N4 2.874(6) . ?
Er4 P3 3.0524(14) . ?
Er4 O1OH 2.333(3) . ?
Er4 O2P 2.248(3) . ?
Er4 O8P 2.475(4) . ?
Er4 O9P 2.350(3) . ?
Er4 O11P 2.247(4) . ?
Er4 O16N 2.457(4) . ?
Er4 O17N 2.492(4) . ?
Er4 O44 2.255(4) . ?
Er4 N6 2.901(6) . ?
P1 O1P 1.491(4) . ?
P1 O2P 1.546(4) . ?
P1 O3P 1.554(3) . ?
P1 C1P 1.816(5) . ?
P2 O4P 1.491(4) . ?
P2 O5P 1.550(4) . ?
P2 O6P 1.533(4) . ?
P2 C5P 1.826(5) . ?
P3 O7P 1.492(4) . ?
P3 O8P 1.546(3) . ?
P3 O9P 1.545(4) . ?
P3 C9P 1.813(6) . ?
P4 O10P 1.484(5) . ?
P4 O11P 1.496(5) . ?
P4 O12P 1.584(5) . ?
P4 C13P 1.783(7) . ?
O1N N1 1.257(6) . ?
O2N N1 1.280(6) . ?
O3N N1 1.216(6) . ?
O4N N2 1.243(6) . ?
O5N N2 1.279(6) . ?
O6N N2 1.218(6) . ?
O7N N3 1.265(6) . ?
O8N N3 1.259(6) . ?
O9N N3 1.237(6) . ?
O10N N4 1.239(7) . ?
O11N N4 1.277(7) . ?
O12N N4 1.223(7) . ?
O13N N5 1.285(6) . ?
O14N N5 1.263(6) . ?
O15N N5 1.220(6) . ?
O16N N6 1.269(7) . ?
O17N N6 1.270(7) . ?
O18N N6 1.226(6) . ?
O37 C1 1.272(7) . ?
O41 C1 1.250(7) . ?
O44 C6 1.264(7) . ?
O48 C6 1.250(6) . ?
C1 C2 1.529(8) . ?
C1P C2P 1.536(8) . ?
C1P C3P 1.515(8) . ?
C1P C4P 1.540(8) . ?
C2 C3 1.503(9) . ?
C2 C4 1.528(9) . ?
C2 C5 1.529(9) . ?
C5P C6P 1.558(8) . ?
C5P C7P 1.529(7) . ?
C5P C8P 1.538(8) . ?
C6 C7 1.516(8) . ?
C7 C8 1.562(11) . ?
C7 C9 1.491(8) . ?
C7 C10 1.489(9) . ?
C9P C10P 1.551(7) . ?
C9P C11P 1.540(7) . ?
C9P C12P 1.554(8) . ?
C13P C14P 1.564(11) . ?
C13P C15P 1.523(10) . ?
C13P C16P 1.510(11) . ?
N8 C11 1.332(8) . ?
N8 C15 1.308(9) . ?
C11 C12 1.370(9) . ?
C12 C13 1.379(10) . ?
C13 C14 1.376(10) . ?
C14 C15 1.341(10) . ?
N9 C21 1.313(8) . ?
N9 C25 1.324(9) . ?
C21 C22 1.387(10) . ?
C22 C23 1.322(11) . ?
C23 C24 1.345(11) . ?
C24 C25 1.369(10) . ?
N7 C16 1.335(7) . ?
N7 C20 1.313(7) . ?
C16 C17 1.344(8) . ?
C17 C18 1.378(8) . ?
C18 C19 1.374(9) . ?
C19 C20 1.371(8) . ?
N10 C28 1.373(13) . ?
N10 C28 1.373(13) 2_655 ?
C26 C27 1.306(14) . ?
C26 C27 1.306(14) 2_655 ?
C27 C28 1.321(16) . ?

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
O1N Er1 O4N 112.35(12) . . ?
O1N Er1 N1 25.42(12) . . ?
O1N Er1 N2 89.97(13) . . ?
O1N Er1 N3 124.66(13) . . ?
O1P Er1 O1N 75.93(13) . . ?
O1P Er1 O2N 83.09(13) . . ?
O1P Er1 O4N 154.00(12) . . ?
O1P Er1 O4P 87.68(13) . . ?
O1P Er1 O5N 144.38(13) . . ?
O1P Er1 O7N 128.92(13) . . ?
O1P Er1 O7P 85.92(13) . . ?
O1P Er1 O8N 77.98(13) . . ?
O1P Er1 N1 78.11(14) . . ?
O1P Er1 N2 160.26(13) . . ?
O1P Er1 N3 103.49(14) . . ?
O2N Er1 O1N 51.27(12) . . ?
O2N Er1 O4N 121.78(13) . . ?
O2N Er1 O8N 69.29(12) . . ?
O2N Er1 N1 25.85(12) . . ?
O2N Er1 N2 98.96(15) . . ?
O2N Er1 N3 73.51(13) . . ?
O4N Er1 N1 120.38(13) . . ?
O4N Er1 N2 25.27(12) . . ?
O4N Er1 N3 91.92(14) . . ?
O4P Er1 O1N 74.22(12) . . ?
O4P Er1 O2N 125.36(12) . . ?
O4P Er1 O4N 72.02(12) . . ?
O4P Er1 O5N 83.56(13) . . ?
O4P Er1 O7N 141.10(13) . . ?
O4P Er1 O7P 86.80(12) . . ?
O4P Er1 O8N 158.40(12) . . ?
O4P Er1 N1 99.59(14) . . ?
O4P Er1 N2 75.06(14) . . ?
O4P Er1 N3 159.66(14) . . ?
O5N Er1 O1N 68.46(12) . . ?
O5N Er1 O2N 74.33(13) . . ?
O5N Er1 O4N 51.07(13) . . ?
O5N Er1 O7N 73.02(13) . . ?
O5N Er1 O8N 117.39(13) . . ?
O5N Er1 N1 69.51(14) . . ?
O5N Er1 N2 25.87(13) . . ?
O5N Er1 N3 96.16(14) . . ?
O7N Er1 O1N 122.11(13) . . ?
O7N Er1 O2N 77.95(13) . . ?
O7N Er1 O4N 69.08(12) . . ?
O7N Er1 O8N 50.97(12) . . ?
O7N Er1 N1 100.62(14) . . ?
O7N Er1 N2 70.32(13) . . ?
O7N Er1 N3 25.55(13) . . ?
O7P Er1 O1N 154.02(12) . . ?
O7P Er1 O2N 145.29(12) . . ?
O7P Er1 O4N 77.09(13) . . ?
O7P Er1 O5N 127.72(13) . . ?
O7P Er1 O7N 83.77(13) . . ?
O7P Er1 O8N 76.25(12) . . ?
O7P Er1 N1 162.47(13) . . ?
O7P Er1 N2 102.30(14) . . ?
O7P Er1 N3 77.27(13) . . ?
O8N Er1 O1N 116.84(12) . . ?
O8N Er1 O4N 115.93(12) . . ?
O8N Er1 N1 93.23(13) . . ?
O8N Er1 N2 121.23(13) . . ?
O8N Er1 N3 25.52(13) . . ?
N2 Er1 N1 95.13(15) . . ?
N2 Er1 N3 95.87(14) . . ?
N3 Er1 N1 99.32(14) . . ?
Er4 Er2 Er3 60.755(7) . . ?
P2 Er2 Er3 66.17(3) . . ?
P2 Er2 Er4 101.07(3) . . ?
O1OH Er2 Er3 35.93(9) . . ?
O1OH Er2 Er4 36.26(8) . . ?
O1OH Er2 P2 99.36(9) . . ?
O1OH Er2 O5P 129.09(12) . . ?
O1OH Er2 O6P 70.69(12) . . ?
O1OH Er2 O13N 141.19(13) . . ?
O1OH Er2 O14N 142.27(13) . . ?
O1OH Er2 N5 148.70(13) . . ?
O5P Er2 Er3 96.51(9) . . ?
O5P Er2 Er4 120.01(8) . . ?
O5P Er2 P2 30.38(9) . . ?
O5P Er2 O6P 60.60(12) . . ?
O5P Er2 O13N 83.86(13) . . ?
O5P Er2 O14N 77.89(13) . . ?
O5P Er2 N5 82.03(13) . . ?
O6P Er2 Er3 35.96(8) . . ?
O6P Er2 Er4 83.66(8) . . ?
O6P Er2 P2 30.41(8) . . ?
O6P Er2 O14N 137.15(12) . . ?
O6P Er2 N5 139.93(13) . . ?
O8P Er2 Er3 84.75(9) . . ?
O8P Er2 Er4 39.76(9) . . ?
O8P Er2 P2 83.91(9) . . ?
O8P Er2 O1OH 74.23(12) . . ?
O8P Er2 O5P 87.94(12) . . ?
O8P Er2 O6P 85.90(11) . . ?
O8P Er2 O13N 134.37(13) . . ?
O8P Er2 O14N 82.27(13) . . ?
O8P Er2 O41 152.79(14) . . ?
O8P Er2 O48 87.83(12) . . ?
O8P Er2 N5 108.06(14) . . ?
O13N Er2 Er3 140.73(10) . . ?
O13N Er2 Er4 149.40(10) . . ?
O13N Er2 P2 108.18(10) . . ?
O13N Er2 O6P 126.61(12) . . ?
O13N Er2 O14N 52.12(13) . . ?
O13N Er2 N5 26.34(13) . . ?
O14N Er2 Er3 166.02(9) . . ?
O14N Er2 Er4 110.76(9) . . ?
O14N Er2 P2 107.12(10) . . ?
O14N Er2 N5 25.95(12) . . ?
O41 Er2 Er3 69.73(10) . . ?
O41 Er2 Er4 115.32(10) . . ?
O41 Er2 P2 93.86(10) . . ?
O41 Er2 O1OH 79.43(13) . . ?
O41 Er2 O5P 103.76(13) . . ?
O41 Er2 O6P 79.01(12) . . ?
O41 Er2 O13N 72.07(14) . . ?
O41 Er2 O14N 123.89(13) . . ?
O41 Er2 O48 93.20(13) . . ?
O41 Er2 N5 97.95(14) . . ?
O48 Er2 Er3 112.52(10) . . ?
O48 Er2 Er4 71.93(9) . . ?
O48 Er2 P2 171.72(9) . . ?
O48 Er2 O1OH 77.71(13) . . ?
O48 Er2 O5P 150.13(14) . . ?
O48 Er2 O6P 148.31(13) . . ?
O48 Er2 O13N 78.16(14) . . ?
O48 Er2 O14N 72.24(14) . . ?
O48 Er2 N5 71.27(14) . . ?
N5 Er2 Er3 166.98(10) . . ?
N5 Er2 Er4 131.00(10) . . ?
N5 Er2 P2 111.94(11) . . ?
Er2 Er3 Er4 59.569(7) . . ?
P1 Er3 Er2 99.22(3) . . ?
P1 Er3 Er4 64.93(3) . . ?
O1OH Er3 Er2 35.49(9) . . ?
O1OH Er3 Er4 35.52(8) . . ?
O1OH Er3 P1 97.66(9) . . ?
O1OH Er3 O2P 68.62(12) . . ?
O1OH Er3 O10N 144.16(13) . . ?
O1OH Er3 O11N 145.44(14) . . ?
O1OH Er3 N4 154.31(15) . . ?
O2P Er3 Er2 80.92(8) . . ?
O2P Er3 Er4 34.46(8) . . ?
O2P Er3 P1 30.58(8) . . ?
O2P Er3 O10N 134.10(12) . . ?
O2P Er3 N4 136.97(14) . . ?
O3P Er3 Er2 118.95(9) . . ?
O3P Er3 Er4 95.13(8) . . ?
O3P Er3 P1 30.27(8) . . ?
O3P Er3 O1OH 127.36(12) . . ?
O3P Er3 O2P 60.68(11) . . ?
O3P Er3 O10N 75.43(12) . . ?
O3P Er3 O11N 81.37(14) . . ?
O3P Er3 N4 77.91(14) . . ?
O6P Er3 Er2 39.12(8) . . ?
O6P Er3 Er4 84.82(8) . . ?
O6P Er3 P1 85.01(8) . . ?
O6P Er3 O1OH 73.35(12) . . ?
O6P Er3 O2P 85.96(11) . . ?
O6P Er3 O3P 89.43(12) . . ?
O6P Er3 O10N 80.56(13) . . ?
O6P Er3 O11N 132.11(14) . . ?
O6P Er3 O37 83.42(13) . . ?
O6P Er3 N4 105.95(16) . . ?
O10N Er3 Er2 111.89(10) . . ?
O10N Er3 Er4 162.59(9) . . ?
O10N Er3 P1 104.19(9) . . ?
O10N Er3 N4 25.47(14) . . ?
O10P Er3 Er2 114.69(12) . . ?
O10P Er3 Er4 71.90(11) . . ?
O10P Er3 P1 96.70(12) . . ?
O10P Er3 O1OH 79.82(15) . . ?
O10P Er3 O2P 82.37(14) . . ?
O10P Er3 O3P 105.56(15) . . ?
O10P Er3 O6P 153.09(15) . . ?
O10P Er3 O10N 124.41(15) . . ?
O10P Er3 O11N 73.24(16) . . ?
O10P Er3 O37 93.22(15) . . ?
O10P Er3 N4 99.08(18) . . ?
O11N Er3 Er2 152.12(11) . . ?
O11N Er3 Er4 142.55(11) . . ?
O11N Er3 P1 106.50(11) . . ?
O11N Er3 O2P 126.95(14) . . ?
O11N Er3 O10N 51.61(14) . . ?
O11N Er3 N4 26.17(15) . . ?
O37 Er3 Er2 71.05(10) . . ?
O37 Er3 Er4 112.98(9) . . ?
O37 Er3 P1 168.40(10) . . ?
O37 Er3 O1OH 78.17(13) . . ?
O37 Er3 O2P 146.77(12) . . ?
O37 Er3 O3P 150.09(12) . . ?
O37 Er3 O10N 74.76(13) . . ?
O37 Er3 O11N 82.10(15) . . ?
O37 Er3 N4 76.26(15) . . ?
N4 Er3 Er2 133.48(13) . . ?
N4 Er3 Er4 166.94(13) . . ?
N4 Er3 P1 107.92(12) . . ?
Er2 Er4 Er3 59.676(6) . . ?
P3 Er4 Er2 66.09(3) . . ?
P3 Er4 Er3 99.26(3) . . ?
O1OH Er4 Er2 35.65(9) . . ?
O1OH Er4 Er3 35.35(9) . . ?
O1OH Er4 P3 98.58(9) . . ?
O1OH Er4 O8P 69.93(12) . . ?
O1OH Er4 O9P 127.47(12) . . ?
O1OH Er4 O16N 145.79(14) . . ?
O1OH Er4 O17N 145.33(14) . . ?
O1OH Er4 N6 155.67(14) . . ?
O2P Er4 Er2 83.63(8) . . ?
O2P Er4 Er3 38.33(8) . . ?
O2P Er4 P3 83.52(9) . . ?
O2P Er4 O1OH 72.23(12) . . ?
O2P Er4 O8P 84.10(12) . . ?
O2P Er4 O9P 87.46(12) . . ?
O2P Er4 O16N 136.43(14) . . ?
O2P Er4 O17N 84.98(14) . . ?
O2P Er4 O44 150.09(13) . . ?
O2P Er4 N6 110.81(16) . . ?
O8P Er4 Er2 35.94(8) . . ?
O8P Er4 Er3 81.32(8) . . ?
O8P Er4 P3 30.24(8) . . ?
O8P Er4 O17N 134.44(12) . . ?
O8P Er4 N6 133.79(14) . . ?
O9P Er4 Er2 95.85(9) . . ?
O9P Er4 Er3 117.60(8) . . ?
O9P Er4 P3 29.78(9) . . ?
O9P Er4 O8P 59.94(11) . . ?
O9P Er4 O16N 79.46(14) . . ?
O9P Er4 O17N 75.51(13) . . ?
O9P Er4 N6 76.75(14) . . ?
O11P Er4 Er2 111.80(11) . . ?
O11P Er4 Er3 74.55(11) . . ?
O11P Er4 P3 173.31(12) . . ?
O11P Er4 O1OH 77.92(14) . . ?
O11P Er4 O2P 89.96(15) . . ?
O11P Er4 O8P 147.60(13) . . ?
O11P Er4 O9P 151.76(14) . . ?
O11P Er4 O16N 83.20(16) . . ?
O11P Er4 O17N 76.25(15) . . ?
O11P Er4 O44 90.86(16) . . ?
O11P Er4 N6 77.95(16) . . ?
O16N Er4 Er2 138.62(12) . . ?
O16N Er4 Er3 156.52(12) . . ?
O16N Er4 P3 102.56(12) . . ?
O16N Er4 O8P 122.13(14) . . ?
O16N Er4 O17N 51.56(15) . . ?
O16N Er4 N6 25.73(15) . . ?
O17N Er4 Er2 166.00(10) . . ?
O17N Er4 Er3 114.23(11) . . ?
O17N Er4 P3 104.55(10) . . ?
O17N Er4 N6 25.85(15) . . ?
O44 Er4 Er2 68.37(10) . . ?
O44 Er4 Er3 113.86(9) . . ?
O44 Er4 P3 94.05(11) . . ?
O44 Er4 O1OH 78.72(13) . . ?
O44 Er4 O8P 79.34(13) . . ?
O44 Er4 O9P 105.10(14) . . ?
O44 Er4 O16N 73.27(15) . . ?
O44 Er4 O17N 124.15(14) . . ?
O44 Er4 N6 98.58(16) . . ?
N6 Er4 Er2 163.11(13) . . ?
N6 Er4 Er3 137.20(13) . . ?
N6 Er4 P3 105.74(11) . . ?
O1P P1 Er3 125.27(15) . . ?
O1P P1 O2P 113.9(2) . . ?
O1P P1 O3P 113.9(2) . . ?
O1P P1 C1P 106.6(2) . . ?
O2P P1 Er3 54.19(13) . . ?
O2P P1 O3P 102.43(19) . . ?
O2P P1 C1P 110.6(2) . . ?
O3P P1 Er3 48.59(13) . . ?
O3P P1 C1P 109.5(2) . . ?
C1P P1 Er3 128.03(18) . . ?
O4P P2 Er2 124.86(14) . . ?
O4P P2 O5P 114.1(2) . . ?
O4P P2 O6P 113.6(2) . . ?
O4P P2 C5P 106.9(2) . . ?
O5P P2 Er2 49.08(13) . . ?
O5P P2 C5P 108.0(2) . . ?
O6P P2 Er2 54.05(13) . . ?
O6P P2 O5P 102.73(19) . . ?
O6P P2 C5P 111.6(2) . . ?
C5P P2 Er2 128.05(18) . . ?
O7P P3 Er4 127.56(16) . . ?
O7P P3 O8P 114.50(19) . . ?
O7P P3 O9P 114.0(2) . . ?
O7P P3 C9P 107.6(2) . . ?
O8P P3 Er4 53.75(14) . . ?
O8P P3 C9P 110.0(2) . . ?
O9P P3 Er4 49.05(13) . . ?
O9P P3 O8P 102.6(2) . . ?
O9P P3 C9P 107.9(2) . . ?
C9P P3 Er4 124.66(18) . . ?
O10P P4 O11P 115.0(3) . . ?
O10P P4 O12P 109.1(3) . . ?
O10P P4 C13P 108.7(3) . . ?
O11P P4 O12P 110.3(3) . . ?
O11P P4 C13P 109.4(3) . . ?
O12P P4 C13P 103.7(3) . . ?
N1 O1N Er1 94.9(3) . . ?
Er2 O1OH Er3 108.58(14) . . ?
Er2 O1OH Er4 108.08(14) . . ?
Er3 O1OH Er4 109.13(14) . . ?
P1 O1P Er1 156.2(2) . . ?
N1 O2N Er1 96.3(3) . . ?
Er4 O2P Er3 107.20(13) . . ?
P1 O2P Er3 95.23(16) . . ?
P1 O2P Er4 156.7(2) . . ?
P1 O3P Er3 101.15(17) . . ?
N2 O4N Er1 94.0(3) . . ?
P2 O4P Er1 157.3(2) . . ?
N2 O5N Er1 97.9(3) . . ?
P2 O5P Er2 100.53(18) . . ?
Er3 O6P Er2 104.93(12) . . ?
P2 O6P Er2 95.54(17) . . ?
P2 O6P Er3 157.9(2) . . ?
N3 O7N Er1 96.9(3) . . ?
P3 O7P Er1 152.8(2) . . ?
N3 O8N Er1 95.0(3) . . ?
Er2 O8P Er4 104.31(13) . . ?
P3 O8P Er2 159.0(2) . . ?
P3 O8P Er4 96.02(16) . . ?
P3 O9P Er4 101.16(17) . . ?
N4 O10N Er3 94.3(4) . . ?
P4 O10P Er3 140.6(3) . . ?
N4 O11N Er3 97.0(4) . . ?
P4 O11P Er4 136.5(3) . . ?
N5 O13N Er2 96.6(3) . . ?
N5 O14N Er2 94.4(3) . . ?
N6 O16N Er4 97.0(4) . . ?
N6 O17N Er4 95.4(4) . . ?
C1 O37 Er3 135.8(3) . . ?
C1 O41 Er2 138.9(4) . . ?
C6 O44 Er4 140.9(4) . . ?
C6 O48 Er2 132.1(4) . . ?
O1N N1 Er1 59.7(3) . . ?
O1N N1 O2N 117.6(5) . . ?
O2N N1 Er1 57.9(3) . . ?
O3N N1 Er1 178.2(4) . . ?
O3N N1 O1N 121.8(5) . . ?
O3N N1 O2N 120.7(5) . . ?
O4N N2 Er1 60.7(3) . . ?
O4N N2 O5N 116.7(5) . . ?
O5N N2 Er1 56.3(3) . . ?
O6N N2 Er1 173.8(4) . . ?
O6N N2 O4N 123.7(5) . . ?
O6N N2 O5N 119.6(5) . . ?
O7N N3 Er1 57.5(3) . . ?
O8N N3 Er1 59.5(3) . . ?
O8N N3 O7N 116.7(4) . . ?
O9N N3 Er1 173.9(4) . . ?
O9N N3 O7N 123.3(5) . . ?
O9N N3 O8N 120.1(5) . . ?
O10N N4 Er3 60.2(3) . . ?
O10N N4 O11N 117.0(5) . . ?
O11N N4 Er3 56.9(3) . . ?
O12N N4 Er3 176.6(5) . . ?
O12N N4 O10N 123.0(6) . . ?
O12N N4 O11N 120.0(6) . . ?
O13N N5 Er2 57.0(3) . . ?
O14N N5 Er2 59.7(3) . . ?
O14N N5 O13N 116.1(5) . . ?
O15N N5 Er2 172.4(5) . . ?
O15N N5 O13N 121.3(5) . . ?
O15N N5 O14N 122.6(5) . . ?
O16N N6 Er4 57.2(3) . . ?
O16N N6 O17N 116.0(5) . . ?
O17N N6 Er4 58.8(3) . . ?
O18N N6 Er4 178.1(5) . . ?
O18N N6 O16N 121.3(6) . . ?
O18N N6 O17N 122.8(6) . . ?
O37 C1 C2 117.2(5) . . ?
O41 C1 O37 123.3(5) . . ?
O41 C1 C2 119.4(5) . . ?
C2P C1P P1 107.8(4) . . ?
C2P C1P C4P 109.2(5) . . ?
C3P C1P P1 110.7(4) . . ?
C3P C1P C2P 110.4(5) . . ?
C3P C1P C4P 111.3(5) . . ?
C4P C1P P1 107.4(4) . . ?
C3 C2 C1 111.9(5) . . ?
C3 C2 C4 110.2(6) . . ?
C3 C2 C5 110.0(6) . . ?
C4 C2 C1 104.9(5) . . ?
C5 C2 C1 110.2(5) . . ?
C5 C2 C4 109.6(6) . . ?
C6P C5P P2 106.3(4) . . ?
C7P C5P P2 109.7(4) . . ?
C7P C5P C6P 111.1(5) . . ?
C7P C5P C8P 110.9(5) . . ?
C8P C5P P2 109.4(4) . . ?
C8P C5P C6P 109.3(5) . . ?
O44 C6 C7 116.6(5) . . ?
O48 C6 O44 124.5(5) . . ?
O48 C6 C7 118.9(5) . . ?
C6 C7 C8 108.8(6) . . ?
C9 C7 C6 111.7(5) . . ?
C9 C7 C8 107.4(7) . . ?
C10 C7 C6 107.8(5) . . ?
C10 C7 C8 109.4(7) . . ?
C10 C7 C9 111.7(7) . . ?
C10P C9P P3 109.0(4) . . ?
C10P C9P C12P 108.9(4) . . ?
C11P C9P P3 109.9(4) . . ?
C11P C9P C10P 110.3(4) . . ?
C11P C9P C12P 109.8(5) . . ?
C12P C9P P3 108.8(4) . . ?
C14P C13P P4 109.7(5) . . ?
C15P C13P P4 107.9(6) . . ?
C15P C13P C14P 108.3(7) . . ?
C16P C13P P4 108.3(6) . . ?
C16P C13P C14P 108.4(8) . . ?
C16P C13P C15P 114.2(7) . . ?
C15 N8 C11 122.6(6) . . ?
N8 C11 C12 119.7(6) . . ?
C11 C12 C13 118.5(7) . . ?
C14 C13 C12 119.0(7) . . ?
C15 C14 C13 120.0(8) . . ?
N8 C15 C14 120.1(7) . . ?
C21 N9 C25 121.9(7) . . ?
N9 C21 C22 119.3(7) . . ?
C23 C22 C21 118.9(8) . . ?
C22 C23 C24 121.5(9) . . ?
C23 C24 C25 118.6(8) . . ?
N9 C25 C24 119.7(7) . . ?
C20 N7 C16 122.1(5) . . ?
N7 C16 C17 120.5(6) . . ?
C16 C17 C18 119.3(6) . . ?
C19 C18 C17 119.1(6) . . ?
C20 C19 C18 119.3(6) . . ?
N7 C20 C19 119.7(6) . . ?
C28 N10 C28 123.3(19) . 2_655 ?
C27 C26 C27 122(2) . 2_655 ?
C26 C27 C28 121.9(15) . . ?
C27 C28 N10 115.4(13) . . ?

_olex2_submission_special_instructions 'No special instructions were received'





_database_code_depnum_ccdc_archive 'CCDC 1021471'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_Gd4P4
_audit_creation_date             2014-08-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H56 Gd4 N6 O35 P4, 4(C5 H6 N), C5 H5 N'
_chemical_formula_sum            'C51 H85 Gd4 N11 O35 P4'
_chemical_formula_weight         2123.10
_chemical_melting_point          ?
_chemical_oxdiff_formula         Gd4P4N6O30C100H300
_chemical_oxdiff_usercomment     KH-65-6
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'
Gd Gd -0.1653 3.9035 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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'

_cell_length_a                   44.8769(7)
_cell_length_b                   19.0562(4)
_cell_length_c                   24.0257(4)
_cell_angle_alpha                90
_cell_angle_beta                 91.0776(16)
_cell_angle_gamma                90
_cell_volume                     20542.7(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    16145
_cell_measurement_temperature    150.01(11)
_cell_measurement_theta_max      28.8390
_cell_measurement_theta_min      3.2850
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.679
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.35991
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             8324
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_unetI/netI     0.0495
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            44931
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.052
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.01(11)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0714
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -36.00    8.25   0.7500   90.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.1866  -80.0000  -14.0000 59

#__ type_ start__ end____ width___ exp.time_
  2 omega   -7.00   89.00   0.7500   90.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6554   19.0000   60.0000 128

#__ type_ start__ end____ width___ exp.time_
  3 omega  -48.00   50.25   0.7500   90.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6554  -77.0000  -90.0000 131
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0092432000
_diffrn_orient_matrix_UB_12      0.0265545000
_diffrn_orient_matrix_UB_13      0.0110890000
_diffrn_orient_matrix_UB_21      -0.0099582000
_diffrn_orient_matrix_UB_22      -0.0260330000
_diffrn_orient_matrix_UB_23      0.0096245000
_diffrn_orient_matrix_UB_31      0.0080865000
_diffrn_orient_matrix_UB_32      -0.0017184000
_diffrn_orient_matrix_UB_33      0.0256074000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16373
_reflns_number_total             20949
_reflns_odcompleteness_completeness 99.73
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48)'
_computing_data_collection       
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48)'
_computing_data_reduction        
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.666
_refine_diff_density_min         -0.588
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     938
_refine_ls_number_reflns         20949
_refine_ls_number_restraints     57
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0319
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0356P)²+24.1057P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0745
_refine_ls_wR_factor_ref         0.0814
_refine_special_details          ?
_olex2_refinement_description    
;
Big solvent Voids are obtained during the first 
modelling of the data, due to non-localised solvent molecules. 
In order to get an idea of how many solvent molecules occupies the 
empty space, a SQUEZZE procedure was performed. A total of 918 
electron counts were found, which were attributed to a total of 
22 molecules of isobutanol (42 electron counts per molecule). 
These molecules have been added to the molecular formula in the cif file
and not to the _chemical_formula_sum.

_chemical_formula_moiety          'C26 H56 Gd4 N6 O35 P4, 4(C5 H6 N), 22(C5 H5 N)'
_chemical_formula_sum             'C156 H190 Gd4 N32 O35 P4'
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.74010(2) 0.61692(2) 0.29966(2) 0.02127(5) Uani 1 1 d . . . . .
Gd2 Gd 0.61956(2) 0.55190(2) 0.28091(2) 0.02342(5) Uani 1 1 d . . . . .
Gd3 Gd 0.62992(2) 0.74772(2) 0.30782(2) 0.02386(5) Uani 1 1 d . . . . .
Gd4 Gd 0.64102(2) 0.67105(2) 0.16083(2) 0.02661(6) Uani 1 1 d . . . . .
P1 P 0.69257(2) 0.76469(6) 0.26097(5) 0.0246(2) Uani 1 1 d . . . . .
P2 P 0.66858(2) 0.58655(6) 0.36647(4) 0.0231(2) Uani 1 1 d . . . . .
P3 P 0.68775(2) 0.55705(6) 0.19067(4) 0.0254(2) Uani 1 1 d . . . . .
P30 P 0.59600(3) 0.81957(7) 0.18519(6) 0.0429(3) Uani 1 1 d . . . . .
O1 O 0.58613(6) 0.70987(16) 0.34783(13) 0.0348(7) Uani 1 1 d . . . . .
O1N O 0.74627(7) 0.70107(16) 0.38199(13) 0.0370(7) Uani 1 1 d . . . . .
O1OH O 0.61259(6) 0.66304(15) 0.24284(11) 0.0272(6) Uani 1 1 d . . . . .
O1P O 0.71753(6) 0.71420(15) 0.26993(13) 0.0339(7) Uani 1 1 d . . . . .
O2 O 0.58145(6) 0.59421(16) 0.33581(12) 0.0345(7) Uani 1 1 d . . . . .
O2N O 0.78224(7) 0.69992(17) 0.32316(13) 0.0387(8) Uani 1 1 d . . . . .
O2P O 0.66542(6) 0.73331(14) 0.22930(11) 0.0264(6) Uani 1 1 d . . . . .
O3 O 0.58723(6) 0.52957(17) 0.20518(13) 0.0361(7) Uani 1 1 d . . . . .
O3N O 0.78400(9) 0.7702(2) 0.39494(17) 0.0663(12) Uani 1 1 d . . . . .
O3P O 0.67897(6) 0.79106(15) 0.31565(12) 0.0310(7) Uani 1 1 d . . . . .
O4 O 0.60489(6) 0.59171(18) 0.13489(12) 0.0395(8) Uani 1 1 d . . . . .
O4N O 0.74117(7) 0.48904(16) 0.33194(14) 0.0392(8) Uani 1 1 d . . . . .
O4P O 0.70049(6) 0.59824(15) 0.35292(11) 0.0290(7) Uani 1 1 d . . . . .
O5N O 0.76841(8) 0.56271(16) 0.37820(14) 0.0432(8) Uani 1 1 d . . . . .
O5P O 0.65614(6) 0.51518(14) 0.34583(12) 0.0304(7) Uani 1 1 d . . . . .
O6N O 0.76383(13) 0.45595(19) 0.40748(16) 0.0873(17) Uani 1 1 d . . . . .
O6P O 0.64709(6) 0.63946(14) 0.33890(11) 0.0252(6) Uani 1 1 d . . . . .
O7N O 0.78389(7) 0.55378(17) 0.25885(15) 0.0447(8) Uani 1 1 d . . . . .
O7P O 0.71373(6) 0.56284(16) 0.23057(12) 0.0327(7) Uani 1 1 d . . . . .
O8N O 0.76951(6) 0.64502(16) 0.21285(12) 0.0337(7) Uani 1 1 d . . . . .
O8P O 0.65702(6) 0.56632(14) 0.21752(11) 0.0269(6) Uani 1 1 d . . . . .
O9N O 0.80307(8) 0.5769(2) 0.17782(17) 0.0648(11) Uani 1 1 d . . . . .
O9P O 0.68738(6) 0.61428(15) 0.14451(11) 0.0297(7) Uani 1 1 d . . . . .
O10N O 0.61896(8) 0.85780(19) 0.35722(16) 0.0552(10) Uani 1 1 d . . . . .
O10P O 0.60893(7) 0.76267(18) 0.14974(13) 0.0435(8) Uani 1 1 d . . . . .
O11N O 0.63630(7) 0.77606(18) 0.40997(13) 0.0410(8) Uani 1 1 d . . . . .
O11P O 0.60602(6) 0.81846(16) 0.24539(13) 0.0380(8) Uani 1 1 d . . . . .
O12N O 0.62446(13) 0.8759(3) 0.4456(2) 0.1080(19) Uani 1 1 d . . . . .
O12P O 0.60410(8) 0.8937(2) 0.16044(16) 0.0615(11) Uani 1 1 d . . . . .
O13N O 0.59143(7) 0.44924(17) 0.31480(14) 0.0409(8) Uani 1 1 d . . . . .
O14N O 0.62531(6) 0.42393(17) 0.25532(14) 0.0422(8) Uani 1 1 d . . . . .
O15N O 0.59309(9) 0.34424(19) 0.27925(18) 0.0674(12) Uani 1 1 d . . . . .
O16N O 0.63976(8) 0.6680(2) 0.05703(14) 0.0552(10) Uani 1 1 d . . . . .
O17N O 0.66742(7) 0.74946(18) 0.09231(15) 0.0483(9) Uani 1 1 d . . . . .
O18N O 0.66290(9) 0.7403(2) 0.00261(16) 0.0757(13) Uani 1 1 d . . . . .
N1 N 0.77115(9) 0.7249(2) 0.36745(18) 0.0404(10) Uani 1 1 d . . . . .
N2 N 0.75787(10) 0.5012(2) 0.37292(16) 0.0423(10) Uani 1 1 d . . . . .
N3 N 0.78605(8) 0.5912(2) 0.21572(17) 0.0398(10) Uani 1 1 d . . . . .
N4 N 0.62622(10) 0.8376(2) 0.4056(2) 0.0545(12) Uani 1 1 d . . . . .
N5 N 0.60305(9) 0.4040(2) 0.28330(18) 0.0423(10) Uani 1 1 d . . . . .
N6 N 0.65682(9) 0.7202(3) 0.04947(18) 0.0512(12) Uani 1 1 d . . . . .
C1 C 0.57434(9) 0.6514(3) 0.35845(18) 0.0323(10) Uani 1 1 d . . . . .
C1P C 0.70737(9) 0.8380(2) 0.22309(18) 0.0294(10) Uani 1 1 d . . . . .
C2 C 0.54946(9) 0.6511(3) 0.4016(2) 0.0385(11) Uani 1 1 d . . . . .
C2P C 0.73042(11) 0.8745(3) 0.2611(2) 0.0455(13) Uani 1 1 d . . . . .
H2PA H 0.7205 0.8953 0.2922 0.068 Uiso 1 1 calc GR . . . .
H2PB H 0.7405 0.9103 0.2406 0.068 Uiso 1 1 calc GR . . . .
H2PC H 0.7447 0.8406 0.2745 0.068 Uiso 1 1 calc GR . . . .
C3 C 0.54237(11) 0.5763(3) 0.4200(2) 0.0543(15) Uani 1 1 d . . . . .
H3A H 0.5339 0.5506 0.3892 0.081 Uiso 1 1 calc GR . . . .
H3B H 0.5284 0.5776 0.4498 0.081 Uiso 1 1 calc GR . . . .
H3C H 0.5604 0.5536 0.4327 0.081 Uiso 1 1 calc GR . . . .
C3P C 0.72274(11) 0.8095(3) 0.1714(2) 0.0439(12) Uani 1 1 d . . . . .
H3PA H 0.7370 0.7744 0.1824 0.066 Uiso 1 1 calc GR . . . .
H3PB H 0.7327 0.8471 0.1528 0.066 Uiso 1 1 calc GR . . . .
H3PC H 0.7081 0.7890 0.1466 0.066 Uiso 1 1 calc GR . . . .
C4 C 0.52214(10) 0.6828(3) 0.3715(2) 0.0556(15) Uani 1 1 d . . . . .
H4A H 0.5266 0.7300 0.3603 0.083 Uiso 1 1 calc GR . . . .
H4B H 0.5055 0.6831 0.3961 0.083 Uiso 1 1 calc GR . . . .
H4C H 0.5172 0.6552 0.3392 0.083 Uiso 1 1 calc GR . . . .
C4P C 0.68246(10) 0.8887(2) 0.2059(2) 0.0495(14) Uani 1 1 d . . . . .
H4PA H 0.6685 0.8652 0.1814 0.074 Uiso 1 1 calc GR . . . .
H4PB H 0.6908 0.9282 0.1869 0.074 Uiso 1 1 calc GR . . . .
H4PC H 0.6724 0.9047 0.2384 0.074 Uiso 1 1 calc GR . . . .
C5 C 0.55864(12) 0.6954(3) 0.4516(2) 0.0641(17) Uani 1 1 d . . . . .
H5A H 0.5758 0.6748 0.4696 0.096 Uiso 1 1 calc GR . . . .
H5B H 0.5425 0.6973 0.4773 0.096 Uiso 1 1 calc GR . . . .
H5C H 0.5634 0.7420 0.4395 0.096 Uiso 1 1 calc GR . . . .
C5P C 0.66619(9) 0.5880(2) 0.44205(17) 0.0295(10) Uani 1 1 d . . . . .
C6 C 0.58857(9) 0.5445(2) 0.15454(19) 0.0330(10) Uani 1 1 d . . . . .
C6P C 0.68116(12) 0.5220(3) 0.46425(19) 0.0471(13) Uani 1 1 d . . . . .
H6PA H 0.6704 0.4816 0.4511 0.071 Uiso 1 1 calc GR . . . .
H6PB H 0.6813 0.5228 0.5042 0.071 Uiso 1 1 calc GR . . . .
H6PC H 0.7013 0.5200 0.4514 0.071 Uiso 1 1 calc GR . . . .
C7 C 0.56872(10) 0.5040(3) 0.1136(2) 0.0447(13) Uani 1 1 d . . . . .
C7P C 0.63328(10) 0.5909(3) 0.4586(2) 0.0459(13) Uani 1 1 d . . . . .
H7PA H 0.6246 0.6342 0.4458 0.069 Uiso 1 1 calc GR . . . .
H7PB H 0.6319 0.5881 0.4983 0.069 Uiso 1 1 calc GR . . . .
H7PC H 0.6227 0.5522 0.4419 0.069 Uiso 1 1 calc GR . . . .
C8 C 0.5622(2) 0.4303(4) 0.1372(4) 0.127(4) Uani 1 1 d . . . . .
H8A H 0.5804 0.4039 0.1398 0.191 Uiso 1 1 calc GR . . . .
H8B H 0.5483 0.4065 0.1129 0.191 Uiso 1 1 calc GR . . . .
H8C H 0.5538 0.4348 0.1735 0.191 Uiso 1 1 calc GR . . . .
C8P C 0.68246(10) 0.6521(3) 0.46507(19) 0.0405(12) Uani 1 1 d . . . . .
H8PA H 0.7028 0.6514 0.4533 0.061 Uiso 1 1 calc GR . . . .
H8PB H 0.6820 0.6514 0.5050 0.061 Uiso 1 1 calc GR . . . .
H8PC H 0.6729 0.6939 0.4515 0.061 Uiso 1 1 calc GR . . . .
C9 C 0.58404(13) 0.4954(5) 0.0590(3) 0.102(3) Uani 1 1 d . . . . .
H9A H 0.5898 0.5407 0.0453 0.154 Uiso 1 1 calc GR . . . .
H9B H 0.5707 0.4735 0.0327 0.154 Uiso 1 1 calc GR . . . .
H9C H 0.6014 0.4667 0.0642 0.154 Uiso 1 1 calc GR . . . .
C9P C 0.68953(9) 0.4718(2) 0.15743(17) 0.0294(9) Uani 1 1 d . . . . .
C10 C 0.54044(13) 0.5445(4) 0.1063(3) 0.095(3) Uani 1 1 d . . . . .
H10A H 0.5296 0.5432 0.1404 0.142 Uiso 1 1 calc GR . . . .
H10B H 0.5286 0.5240 0.0769 0.142 Uiso 1 1 calc GR . . . .
H10C H 0.5450 0.5923 0.0971 0.142 Uiso 1 1 calc GR . . . .
C10P C 0.71757(9) 0.4690(3) 0.12113(19) 0.0378(11) Uani 1 1 d . . . . .
H10D H 0.7152 0.5005 0.0902 0.057 Uiso 1 1 calc GR . . . .
H10E H 0.7203 0.4221 0.1076 0.057 Uiso 1 1 calc GR . . . .
H10F H 0.7347 0.4826 0.1431 0.057 Uiso 1 1 calc GR . . . .
C11P C 0.66148(10) 0.4592(2) 0.12160(18) 0.0364(11) Uani 1 1 d . . . . .
H11A H 0.6445 0.4562 0.1451 0.055 Uiso 1 1 calc GR . . . .
H11B H 0.6635 0.4161 0.1014 0.055 Uiso 1 1 calc GR . . . .
H11C H 0.6588 0.4973 0.0959 0.055 Uiso 1 1 calc GR . . . .
C12P C 0.69229(10) 0.4149(2) 0.20221(19) 0.0379(11) Uani 1 1 d . . . . .
H12A H 0.7096 0.4238 0.2252 0.057 Uiso 1 1 calc GR . . . .
H12B H 0.6941 0.3698 0.1848 0.057 Uiso 1 1 calc GR . . . .
H12C H 0.6749 0.4154 0.2248 0.057 Uiso 1 1 calc GR . . . .
C13P C 0.55570(11) 0.8137(3) 0.1821(2) 0.0551(15) Uani 1 1 d . . . . .
C14P C 0.54570(12) 0.7443(4) 0.2084(3) 0.0698(19) Uani 1 1 d . . . . .
H14A H 0.5529 0.7057 0.1868 0.105 Uiso 1 1 calc GR . . . .
H14B H 0.5243 0.7428 0.2091 0.105 Uiso 1 1 calc GR . . . .
H14C H 0.5536 0.7411 0.2457 0.105 Uiso 1 1 calc GR . . . .
C15P C 0.54510(13) 0.8176(4) 0.1208(3) 0.080(2) Uani 1 1 d . . . . .
H15A H 0.5526 0.8596 0.1041 0.120 Uiso 1 1 calc GR . . . .
H15B H 0.5237 0.8180 0.1190 0.120 Uiso 1 1 calc GR . . . .
H15C H 0.5524 0.7775 0.1010 0.120 Uiso 1 1 calc GR . . . .
C16P C 0.54263(14) 0.8758(4) 0.2149(3) 0.092(2) Uani 1 1 d . . . . .
H16A H 0.5488 0.8724 0.2533 0.137 Uiso 1 1 calc GR . . . .
H16B H 0.5213 0.8745 0.2122 0.137 Uiso 1 1 calc GR . . . .
H16C H 0.5497 0.9192 0.1997 0.137 Uiso 1 1 calc GR . . . .
N9 N 0.72740(9) 0.6442(2) 0.07165(16) 0.0397(9) Uani 1 1 d . . . . .
H9 H 0.7151 0.6372 0.0980 0.048 Uiso 1 1 calc R . . . .
C21 C 0.71790(11) 0.6385(3) 0.0194(2) 0.0458(13) Uani 1 1 d . . . . .
H21 H 0.6981 0.6273 0.0116 0.055 Uiso 1 1 calc R . . . .
C22 C 0.73707(13) 0.6490(3) -0.0231(2) 0.0543(14) Uani 1 1 d . . . . .
H22 H 0.7304 0.6450 -0.0599 0.065 Uiso 1 1 calc R . . . .
C23 C 0.76630(12) 0.6655(3) -0.0114(2) 0.0468(13) Uani 1 1 d . . . . .
H23 H 0.7796 0.6727 -0.0400 0.056 Uiso 1 1 calc R . . . .
C24 C 0.77553(11) 0.6712(3) 0.0431(2) 0.0461(13) Uani 1 1 d . . . . .
H24 H 0.7952 0.6823 0.0518 0.055 Uiso 1 1 calc R . . . .
C25 C 0.75554(11) 0.6604(3) 0.0845(2) 0.0422(12) Uani 1 1 d . . . . .
H25 H 0.7616 0.6644 0.1216 0.051 Uiso 1 1 calc R . . . .
N10 N 0.66890(9) 0.6161(2) -0.14396(17) 0.0444(10) Uani 1 1 d . . . . .
H10 H 0.6681 0.5711 -0.1421 0.053 Uiso 1 1 calc R . . . .
C16 C 0.69198(11) 0.6466(3) -0.1675(2) 0.0476(13) Uani 1 1 d . . . . .
H16 H 0.7076 0.6192 -0.1802 0.057 Uiso 1 1 calc R . . . .
C17 C 0.69325(13) 0.7175(3) -0.1732(2) 0.0579(15) Uani 1 1 d . . . . .
H17 H 0.7092 0.7384 -0.1910 0.069 Uiso 1 1 calc R . . . .
C18 C 0.67115(14) 0.7569(3) -0.1527(3) 0.0651(17) Uani 1 1 d . . . . .
H18 H 0.6720 0.8055 -0.1555 0.078 Uiso 1 1 calc R . . . .
C19 C 0.64767(14) 0.7259(3) -0.1279(3) 0.0651(17) Uani 1 1 d . . . . .
H19 H 0.6323 0.7533 -0.1142 0.078 Uiso 1 1 calc R . . . .
C20 C 0.64667(12) 0.6544(3) -0.1230(2) 0.0564(15) Uani 1 1 d . . . . .
H20 H 0.6308 0.6327 -0.1055 0.068 Uiso 1 1 calc R . . . .
N7 N 0.70123(8) 0.8577(2) 0.40157(16) 0.0406(10) Uani 1 1 d . . . . .
H7 H 0.6954 0.8300 0.3752 0.049 Uiso 1 1 calc R . . . .
C11 C 0.69491(15) 0.9257(3) 0.3976(2) 0.0635(16) Uani 1 1 d . . . . .
H11 H 0.6842 0.9429 0.3670 0.076 Uiso 1 1 calc R . . . .
C12 C 0.70401(17) 0.9688(3) 0.4378(3) 0.079(2) Uani 1 1 d . . . . .
H12 H 0.7001 1.0166 0.4347 0.095 Uiso 1 1 calc R . . . .
C13 C 0.71919(15) 0.9433(3) 0.4841(2) 0.0663(18) Uani 1 1 d . . . . .
H13 H 0.7251 0.9738 0.5125 0.080 Uiso 1 1 calc R . . . .
C14 C 0.72540(12) 0.8747(3) 0.4883(2) 0.0550(15) Uani 1 1 d . . . . .
H14 H 0.7355 0.8569 0.5193 0.066 Uiso 1 1 calc R . . . .
C15 C 0.71629(11) 0.8309(3) 0.4450(2) 0.0489(13) Uani 1 1 d . . . . .
H15 H 0.7206 0.7832 0.4463 0.059 Uiso 1 1 calc R . . . .
N11 N 0.6185(3) 0.2424(8) 0.0606(5) 0.227(6) Uani 1 1 d D . . . .
C29 C 0.6420(3) 0.2265(9) 0.0935(6) 0.276(10) Uani 1 1 d D . . . .
H29 H 0.6570 0.1976 0.0806 0.331 Uiso 1 1 calc R . . . .
C30 C 0.6435(3) 0.2540(5) 0.1480(6) 0.175(5) Uani 1 1 d D . . . .
H30 H 0.6613 0.2568 0.1685 0.210 Uiso 1 1 calc R . . . .
C31 C 0.6183(3) 0.2751(8) 0.1671(6) 0.267(10) Uani 1 1 d D . . . .
H31 H 0.6188 0.3039 0.1984 0.320 Uiso 1 1 calc R . . . .
C32 C 0.5899(3) 0.2575(6) 0.1438(6) 0.183(5) Uani 1 1 d D . . . .
H32 H 0.5726 0.2565 0.1646 0.220 Uiso 1 1 calc R . . . .
C33 C 0.5902(3) 0.2416(9) 0.0869(7) 0.230(7) Uani 1 1 d D . . . .
H33 H 0.5727 0.2311 0.0671 0.277 Uiso 1 1 calc R . . . .
N8 N 0.5000 0.5216(8) 0.2500 0.139(4) Uani 1 2 d S T P . .
H8 H 0.5000 0.5667 0.2500 0.167 Uiso 1 2 calc RS T P . .
C26 C 0.5000 0.3844(6) 0.2500 0.085(3) Uani 1 2 d S T P . .
H26 H 0.5000 0.3356 0.2500 0.102 Uiso 1 2 calc RS T P . .
C27 C 0.52243(16) 0.4168(5) 0.2749(4) 0.096(3) Uani 1 1 d . . . . .
H27 H 0.5377 0.3910 0.2917 0.115 Uiso 1 1 calc R . . . .
C28 C 0.52322(13) 0.4861(6) 0.2758(3) 0.088(3) Uani 1 1 d . . . . .
H28 H 0.5388 0.5101 0.2933 0.105 Uiso 1 1 calc R . . . .


_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
Gd1 O1N 2.557(3) . ?
Gd1 O1P 2.224(3) . ?
Gd1 O2N 2.521(3) . ?
Gd1 O4N 2.557(3) . ?
Gd1 O4P 2.238(3) . ?
Gd1 O5N 2.480(3) . ?
Gd1 O7N 2.519(3) . ?
Gd1 O7P 2.268(3) . ?
Gd1 O8N 2.546(3) . ?
Gd1 N1 2.957(4) . ?
Gd1 N2 2.923(4) . ?
Gd1 N3 2.952(4) . ?
Gd2 Gd3 3.8140(3) . ?
Gd2 Gd4 3.8091(3) . ?
Gd2 P2 3.0548(10) . ?
Gd2 O1OH 2.326(3) . ?
Gd2 O2 2.324(3) . ?
Gd2 O3 2.344(3) . ?
Gd2 O5P 2.350(3) . ?
Gd2 O6P 2.487(3) . ?
Gd2 O8P 2.306(3) . ?
Gd2 O13N 2.474(3) . ?
Gd2 O14N 2.529(3) . ?
Gd2 N5 2.915(4) . ?
Gd3 Gd4 3.8626(3) . ?
Gd3 P1 3.0651(10) . ?
Gd3 O1 2.319(3) . ?
Gd3 O1OH 2.367(3) . ?
Gd3 O2P 2.507(3) . ?
Gd3 O3P 2.355(3) . ?
Gd3 O6P 2.321(3) . ?
Gd3 O10N 2.464(3) . ?
Gd3 O11N 2.524(3) . ?
Gd3 O11P 2.271(3) . ?
Gd3 N4 2.915(5) . ?
Gd4 P3 3.0945(11) . ?
Gd4 O1OH 2.372(3) . ?
Gd4 O2P 2.290(3) . ?
Gd4 O4 2.295(3) . ?
Gd4 O8P 2.514(3) . ?
Gd4 O9P 2.384(3) . ?
Gd4 O10P 2.275(3) . ?
Gd4 O16N 2.494(3) . ?
Gd4 O17N 2.534(3) . ?
Gd4 N6 2.934(4) . ?
P1 O1P 1.489(3) . ?
P1 O2P 1.545(3) . ?
P1 O3P 1.543(3) . ?
P1 C1P 1.801(4) . ?
P2 O4P 1.491(3) . ?
P2 O5P 1.548(3) . ?
P2 O6P 1.537(3) . ?
P2 C5P 1.821(4) . ?
P3 O7P 1.499(3) . ?
P3 O8P 1.544(3) . ?
P3 O9P 1.555(3) . ?
P3 C9P 1.812(4) . ?
P30 O10P 1.502(4) . ?
P30 O11P 1.507(3) . ?
P30 O12P 1.577(4) . ?
P30 C13P 1.812(5) . ?
O1 C1 1.262(5) . ?
O1N N1 1.261(5) . ?
O2 C1 1.262(5) . ?
O2N N1 1.276(5) . ?
O3 C6 1.252(5) . ?
O3N N1 1.224(5) . ?
O4 C6 1.258(5) . ?
O4N N2 1.248(5) . ?
O5N N2 1.270(5) . ?
O6N N2 1.223(5) . ?
O7N N3 1.263(5) . ?
O8N N3 1.267(5) . ?
O9N N3 1.230(5) . ?
O10N N4 1.262(5) . ?
O11N N4 1.261(5) . ?
O12N N4 1.211(5) . ?
O13N N5 1.265(5) . ?
O14N N5 1.272(5) . ?
O15N N5 1.227(5) . ?
O16N N6 1.269(5) . ?
O17N N6 1.256(5) . ?
O18N N6 1.225(5) . ?
C1 C2 1.538(6) . ?
C1P C2P 1.534(6) . ?
C1P C3P 1.532(6) . ?
C1P C4P 1.529(6) . ?
C2 C3 1.528(7) . ?
C2 C4 1.536(6) . ?
C2 C5 1.518(7) . ?
C5P C6P 1.518(6) . ?
C5P C7P 1.538(6) . ?
C5P C8P 1.521(6) . ?
C6 C7 1.524(6) . ?
C7 C8 1.545(9) . ?
C7 C9 1.500(7) . ?
C7 C10 1.493(7) . ?
C9P C10P 1.546(6) . ?
C9P C11P 1.531(6) . ?
C9P C12P 1.531(6) . ?
C13P C14P 1.535(8) . ?
C13P C15P 1.541(8) . ?
C13P C16P 1.545(8) . ?
N9 C21 1.323(6) . ?
N9 C25 1.331(6) . ?
C21 C22 1.363(7) . ?
C22 C23 1.373(7) . ?
C23 C24 1.369(7) . ?
C24 C25 1.369(7) . ?
N10 C16 1.324(6) . ?
N10 C20 1.342(7) . ?
C16 C17 1.358(7) . ?
C17 C18 1.345(8) . ?
C18 C19 1.355(8) . ?
C19 C20 1.369(8) . ?
N7 C11 1.330(7) . ?
N7 C15 1.334(6) . ?
C11 C12 1.326(8) . ?
C12 C13 1.383(8) . ?
C13 C14 1.340(8) . ?
C14 C15 1.389(7) . ?
N11 C29 1.340(11) . ?
N11 C33 1.429(11) . ?
C29 C30 1.411(11) . ?
C30 C31 1.293(11) . ?
C31 C32 1.424(11) . ?
C32 C33 1.401(11) . ?
N8 C28 1.380(9) . ?
N8 C28 1.380(9) 2_655 ?
C26 C27 1.315(9) . ?
C26 C27 1.315(9) 2_655 ?
C27 C28 1.321(11) . ?

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
O1N Gd1 O4N 111.21(10) . . ?
O1N Gd1 N1 25.12(10) . . ?
O1N Gd1 N2 89.03(10) . . ?
O1N Gd1 N3 124.45(10) . . ?
O1P Gd1 O1N 76.57(10) . . ?
O1P Gd1 O2N 83.36(10) . . ?
O1P Gd1 O4N 153.83(10) . . ?
O1P Gd1 O4P 87.38(10) . . ?
O1P Gd1 O5N 144.62(11) . . ?
O1P Gd1 O7N 128.84(11) . . ?
O1P Gd1 O7P 85.14(11) . . ?
O1P Gd1 O8N 78.55(10) . . ?
O1P Gd1 N1 78.69(11) . . ?
O1P Gd1 N2 160.02(11) . . ?
O1P Gd1 N3 103.82(11) . . ?
O2N Gd1 O1N 50.48(10) . . ?
O2N Gd1 O4N 121.34(10) . . ?
O2N Gd1 O8N 69.71(10) . . ?
O2N Gd1 N1 25.36(10) . . ?
O2N Gd1 N2 98.25(11) . . ?
O2N Gd1 N3 74.13(11) . . ?
O4N Gd1 N1 119.35(11) . . ?
O4N Gd1 N2 25.20(10) . . ?
O4N Gd1 N3 92.26(11) . . ?
O4P Gd1 O1N 74.52(10) . . ?
O4P Gd1 O2N 124.91(10) . . ?
O4P Gd1 O4N 71.68(10) . . ?
O4P Gd1 O5N 84.24(11) . . ?
O4P Gd1 O7N 141.30(10) . . ?
O4P Gd1 O7P 86.39(10) . . ?
O4P Gd1 O8N 158.64(9) . . ?
O4P Gd1 N1 99.60(11) . . ?
O4P Gd1 N2 75.31(11) . . ?
O4P Gd1 N3 159.48(11) . . ?
O5N Gd1 O1N 68.06(10) . . ?
O5N Gd1 O2N 73.72(10) . . ?
O5N Gd1 O4N 50.65(10) . . ?
O5N Gd1 O7N 72.84(11) . . ?
O5N Gd1 O8N 116.41(11) . . ?
O5N Gd1 N1 69.00(10) . . ?
O5N Gd1 N2 25.53(10) . . ?
O5N Gd1 N3 95.52(12) . . ?
O7N Gd1 O1N 121.79(10) . . ?
O7N Gd1 O2N 78.42(11) . . ?
O7N Gd1 O4N 69.66(10) . . ?
O7N Gd1 O8N 50.30(10) . . ?
O7N Gd1 N1 100.60(12) . . ?
O7N Gd1 N2 70.60(11) . . ?
O7N Gd1 N3 25.12(10) . . ?
O7P Gd1 O1N 153.95(10) . . ?
O7P Gd1 O2N 145.87(10) . . ?
O7P Gd1 O4N 78.20(11) . . ?
O7P Gd1 O5N 128.34(11) . . ?
O7P Gd1 O7N 84.16(11) . . ?
O7P Gd1 O8N 76.55(10) . . ?
O7P Gd1 N1 162.42(11) . . ?
O7P Gd1 N2 103.33(11) . . ?
O7P Gd1 N3 77.65(10) . . ?
O8N Gd1 O1N 116.84(10) . . ?
O8N Gd1 O4N 116.21(10) . . ?
O8N Gd1 N1 93.36(11) . . ?
O8N Gd1 N2 120.80(10) . . ?
O8N Gd1 N3 25.29(10) . . ?
N2 Gd1 N1 94.20(11) . . ?
N2 Gd1 N3 95.73(11) . . ?
N3 Gd1 N1 99.43(11) . . ?
Gd4 Gd2 Gd3 60.888(6) . . ?
P2 Gd2 Gd3 65.83(2) . . ?
P2 Gd2 Gd4 101.06(2) . . ?
O1OH Gd2 Gd3 35.99(6) . . ?
O1OH Gd2 Gd4 36.24(7) . . ?
O1OH Gd2 P2 99.08(7) . . ?
O1OH Gd2 O3 77.49(10) . . ?
O1OH Gd2 O5P 128.27(9) . . ?
O1OH Gd2 O6P 70.80(9) . . ?
O1OH Gd2 O13N 141.60(10) . . ?
O1OH Gd2 O14N 142.75(10) . . ?
O1OH Gd2 N5 148.84(10) . . ?
O2 Gd2 Gd3 69.70(7) . . ?
O2 Gd2 Gd4 114.98(8) . . ?
O2 Gd2 P2 94.10(7) . . ?
O2 Gd2 O1OH 79.18(10) . . ?
O2 Gd2 O3 92.98(10) . . ?
O2 Gd2 O5P 103.83(10) . . ?
O2 Gd2 O6P 79.19(9) . . ?
O2 Gd2 O13N 72.66(11) . . ?
O2 Gd2 O14N 123.50(10) . . ?
O2 Gd2 N5 97.70(11) . . ?
O3 Gd2 Gd3 112.39(8) . . ?
O3 Gd2 Gd4 71.46(8) . . ?
O3 Gd2 P2 171.40(8) . . ?
O3 Gd2 O5P 151.10(10) . . ?
O3 Gd2 O6P 148.22(10) . . ?
O3 Gd2 O13N 78.45(11) . . ?
O3 Gd2 O14N 72.59(11) . . ?
O3 Gd2 N5 71.69(11) . . ?
O5P Gd2 Gd3 95.59(7) . . ?
O5P Gd2 Gd4 119.80(7) . . ?
O5P Gd2 P2 29.81(7) . . ?
O5P Gd2 O6P 59.63(9) . . ?
O5P Gd2 O13N 84.29(10) . . ?
O5P Gd2 O14N 78.52(10) . . ?
O5P Gd2 N5 82.75(10) . . ?
O6P Gd2 Gd3 36.01(6) . . ?
O6P Gd2 Gd4 83.94(6) . . ?
O6P Gd2 P2 30.03(6) . . ?
O6P Gd2 O14N 136.98(9) . . ?
O6P Gd2 N5 139.58(10) . . ?
O8P Gd2 Gd3 84.69(7) . . ?
O8P Gd2 Gd4 39.74(7) . . ?
O8P Gd2 P2 83.92(7) . . ?
O8P Gd2 O1OH 74.11(10) . . ?
O8P Gd2 O2 152.51(10) . . ?
O8P Gd2 O3 87.55(10) . . ?
O8P Gd2 O5P 87.99(10) . . ?
O8P Gd2 O6P 85.96(9) . . ?
O8P Gd2 O13N 133.97(10) . . ?
O8P Gd2 O14N 82.85(10) . . ?
O8P Gd2 N5 108.48(11) . . ?
O13N Gd2 Gd3 141.18(8) . . ?
O13N Gd2 Gd4 149.13(8) . . ?
O13N Gd2 P2 108.35(8) . . ?
O13N Gd2 O6P 126.66(10) . . ?
O13N Gd2 O14N 51.14(10) . . ?
O13N Gd2 N5 25.52(10) . . ?
O14N Gd2 Gd3 166.37(7) . . ?
O14N Gd2 Gd4 111.24(8) . . ?
O14N Gd2 P2 107.25(7) . . ?
O14N Gd2 N5 25.81(11) . . ?
N5 Gd2 Gd3 166.60(9) . . ?
N5 Gd2 Gd4 131.24(9) . . ?
N5 Gd2 P2 112.08(8) . . ?
Gd2 Gd3 Gd4 59.493(5) . . ?
P1 Gd3 Gd2 98.67(2) . . ?
P1 Gd3 Gd4 64.49(2) . . ?
O1 Gd3 Gd2 70.39(7) . . ?
O1 Gd3 Gd4 112.72(7) . . ?
O1 Gd3 P1 167.27(8) . . ?
O1 Gd3 O1OH 77.92(10) . . ?
O1 Gd3 O2P 146.44(10) . . ?
O1 Gd3 O3P 150.92(10) . . ?
O1 Gd3 O6P 82.46(10) . . ?
O1 Gd3 O10N 83.49(12) . . ?
O1 Gd3 O11N 75.23(10) . . ?
O1 Gd3 N4 77.70(12) . . ?
O1OH Gd3 Gd2 35.27(6) . . ?
O1OH Gd3 Gd4 35.45(7) . . ?
O1OH Gd3 P1 97.02(7) . . ?
O1OH Gd3 O2P 68.57(9) . . ?
O1OH Gd3 O10N 146.30(11) . . ?
O1OH Gd3 O11N 144.81(10) . . ?
O1OH Gd3 N4 155.42(11) . . ?
O2P Gd3 Gd2 80.93(6) . . ?
O2P Gd3 Gd4 34.51(6) . . ?
O2P Gd3 P1 30.12(6) . . ?
O2P Gd3 O11N 133.88(9) . . ?
O2P Gd3 N4 135.85(11) . . ?
O3P Gd3 Gd2 117.87(7) . . ?
O3P Gd3 Gd4 93.98(7) . . ?
O3P Gd3 P1 29.55(7) . . ?
O3P Gd3 O1OH 125.95(9) . . ?
O3P Gd3 O2P 59.50(9) . . ?
O3P Gd3 O10N 81.82(11) . . ?
O3P Gd3 O11N 76.02(10) . . ?
O3P Gd3 N4 78.28(12) . . ?
O6P Gd3 Gd2 39.06(6) . . ?
O6P Gd3 Gd4 84.85(7) . . ?
O6P Gd3 P1 84.88(7) . . ?
O6P Gd3 O1OH 73.09(9) . . ?
O6P Gd3 O2P 86.16(9) . . ?
O6P Gd3 O3P 88.97(10) . . ?
O6P Gd3 O10N 132.05(11) . . ?
O6P Gd3 O11N 81.17(10) . . ?
O6P Gd3 N4 106.66(12) . . ?
O10N Gd3 Gd2 152.83(9) . . ?
O10N Gd3 Gd4 142.43(9) . . ?
O10N Gd3 P1 106.25(9) . . ?
O10N Gd3 O2P 126.23(11) . . ?
O10N Gd3 O11N 50.92(11) . . ?
O10N Gd3 N4 25.40(11) . . ?
O11N Gd3 Gd2 112.67(8) . . ?
O11N Gd3 Gd4 162.89(7) . . ?
O11N Gd3 P1 104.27(8) . . ?
O11N Gd3 N4 25.53(11) . . ?
O11P Gd3 Gd2 114.47(8) . . ?
O11P Gd3 Gd4 71.83(8) . . ?
O11P Gd3 P1 96.89(8) . . ?
O11P Gd3 O1 93.72(11) . . ?
O11P Gd3 O1OH 79.85(10) . . ?
O11P Gd3 O2P 82.36(10) . . ?
O11P Gd3 O3P 105.89(11) . . ?
O11P Gd3 O6P 152.88(10) . . ?
O11P Gd3 O10N 73.54(12) . . ?
O11P Gd3 O11N 123.96(11) . . ?
O11P Gd3 N4 98.63(13) . . ?
N4 Gd3 Gd2 134.67(10) . . ?
N4 Gd3 Gd4 165.80(10) . . ?
N4 Gd3 P1 107.49(10) . . ?
Gd2 Gd4 Gd3 59.618(5) . . ?
P3 Gd4 Gd2 65.54(2) . . ?
P3 Gd4 Gd3 98.75(2) . . ?
O1OH Gd4 Gd2 35.42(7) . . ?
O1OH Gd4 Gd3 35.35(6) . . ?
O1OH Gd4 P3 97.77(7) . . ?
O1OH Gd4 O8P 69.60(9) . . ?
O1OH Gd4 O9P 126.30(9) . . ?
O1OH Gd4 O16N 145.76(10) . . ?
O1OH Gd4 O17N 147.46(11) . . ?
O1OH Gd4 N6 157.06(10) . . ?
O2P Gd4 Gd2 83.63(7) . . ?
O2P Gd4 Gd3 38.32(7) . . ?
O2P Gd4 P3 83.36(7) . . ?
O2P Gd4 O1OH 72.19(9) . . ?
O2P Gd4 O4 149.58(10) . . ?
O2P Gd4 O8P 83.93(9) . . ?
O2P Gd4 O9P 86.92(9) . . ?
O2P Gd4 O16N 137.02(11) . . ?
O2P Gd4 O17N 86.45(11) . . ?
O2P Gd4 N6 111.67(12) . . ?
O4 Gd4 Gd2 68.01(8) . . ?
O4 Gd4 Gd3 113.26(8) . . ?
O4 Gd4 P3 94.17(8) . . ?
O4 Gd4 O1OH 78.16(10) . . ?
O4 Gd4 O8P 79.47(10) . . ?
O4 Gd4 O9P 105.71(10) . . ?
O4 Gd4 O16N 73.19(12) . . ?
O4 Gd4 O17N 123.28(11) . . ?
O4 Gd4 N6 98.29(13) . . ?
O8P Gd4 Gd2 35.91(6) . . ?
O8P Gd4 Gd3 81.10(6) . . ?
O8P Gd4 P3 29.71(6) . . ?
O8P Gd4 O17N 133.46(10) . . ?
O8P Gd4 N6 132.53(11) . . ?
O9P Gd4 Gd2 95.04(7) . . ?
O9P Gd4 Gd3 116.73(7) . . ?
O9P Gd4 P3 29.51(7) . . ?
O9P Gd4 O8P 59.16(9) . . ?
O9P Gd4 O16N 80.12(11) . . ?
O9P Gd4 O17N 74.96(10) . . ?
O9P Gd4 N6 76.60(11) . . ?
O10P Gd4 Gd2 112.19(8) . . ?
O10P Gd4 Gd3 74.02(8) . . ?
O10P Gd4 P3 172.05(8) . . ?
O10P Gd4 O1OH 78.33(10) . . ?
O10P Gd4 O2P 88.83(11) . . ?
O10P Gd4 O4 91.80(12) . . ?
O10P Gd4 O8P 147.83(10) . . ?
O10P Gd4 O9P 151.79(11) . . ?
O10P Gd4 O16N 84.16(12) . . ?
O10P Gd4 O17N 76.95(11) . . ?
O10P Gd4 N6 79.14(12) . . ?
O16N Gd4 Gd2 137.93(9) . . ?
O16N Gd4 Gd3 157.22(9) . . ?
O16N Gd4 P3 102.59(9) . . ?
O16N Gd4 O8P 121.63(11) . . ?
O16N Gd4 O17N 50.65(12) . . ?
O16N Gd4 N6 25.42(12) . . ?
O17N Gd4 Gd2 166.29(7) . . ?
O17N Gd4 Gd3 116.16(9) . . ?
O17N Gd4 P3 103.96(8) . . ?
O17N Gd4 N6 25.23(12) . . ?
N6 Gd4 Gd2 161.74(10) . . ?
N6 Gd4 Gd3 138.64(10) . . ?
N6 Gd4 P3 105.12(9) . . ?
O1P P1 Gd3 124.84(12) . . ?
O1P P1 O2P 113.90(16) . . ?
O1P P1 O3P 113.32(17) . . ?
O1P P1 C1P 106.90(18) . . ?
O2P P1 Gd3 54.52(11) . . ?
O2P P1 C1P 110.26(17) . . ?
O3P P1 Gd3 48.81(10) . . ?
O3P P1 O2P 102.97(15) . . ?
O3P P1 C1P 109.47(19) . . ?
C1P P1 Gd3 128.09(14) . . ?
O4P P2 Gd2 124.59(12) . . ?
O4P P2 O5P 113.78(17) . . ?
O4P P2 O6P 113.92(16) . . ?
O4P P2 C5P 106.87(17) . . ?
O5P P2 Gd2 48.99(10) . . ?
O5P P2 C5P 107.78(19) . . ?
O6P P2 Gd2 54.09(10) . . ?
O6P P2 O5P 102.63(15) . . ?
O6P P2 C5P 111.79(18) . . ?
C5P P2 Gd2 128.25(14) . . ?
O7P P3 Gd4 127.73(13) . . ?
O7P P3 O8P 114.48(16) . . ?
O7P P3 O9P 113.72(17) . . ?
O7P P3 C9P 107.91(18) . . ?
O8P P3 Gd4 53.81(11) . . ?
O8P P3 O9P 102.71(15) . . ?
O8P P3 C9P 109.49(17) . . ?
O9P P3 Gd4 49.03(10) . . ?
O9P P3 C9P 108.31(18) . . ?
C9P P3 Gd4 124.22(14) . . ?
O10P P30 O11P 115.01(18) . . ?
O10P P30 O12P 109.8(2) . . ?
O10P P30 C13P 109.1(2) . . ?
O11P P30 O12P 107.9(2) . . ?
O11P P30 C13P 108.6(2) . . ?
O12P P30 C13P 106.1(2) . . ?
C1 O1 Gd3 136.1(3) . . ?
N1 O1N Gd1 95.5(3) . . ?
Gd2 O1OH Gd3 108.75(10) . . ?
Gd2 O1OH Gd4 108.34(11) . . ?
Gd3 O1OH Gd4 109.19(10) . . ?
P1 O1P Gd1 157.20(18) . . ?
C1 O2 Gd2 137.7(3) . . ?
N1 O2N Gd1 96.8(2) . . ?
Gd4 O2P Gd3 107.17(10) . . ?
P1 O2P Gd3 95.36(13) . . ?
P1 O2P Gd4 156.41(17) . . ?
C6 O3 Gd2 132.3(3) . . ?
P1 O3P Gd3 101.65(13) . . ?
C6 O4 Gd4 141.5(3) . . ?
N2 O4N Gd1 94.0(2) . . ?
P2 O4P Gd1 157.64(17) . . ?
N2 O5N Gd1 97.1(2) . . ?
P2 O5P Gd2 101.20(14) . . ?
Gd3 O6P Gd2 104.93(9) . . ?
P2 O6P Gd2 95.88(13) . . ?
P2 O6P Gd3 157.49(16) . . ?
N3 O7N Gd1 97.0(2) . . ?
P3 O7P Gd1 152.89(19) . . ?
N3 O8N Gd1 95.6(2) . . ?
Gd2 O8P Gd4 104.36(10) . . ?
P3 O8P Gd2 158.52(17) . . ?
P3 O8P Gd4 96.48(13) . . ?
P3 O9P Gd4 101.46(14) . . ?
N4 O10N Gd3 97.7(3) . . ?
P30 O10P Gd4 137.55(19) . . ?
N4 O11N Gd3 94.9(3) . . ?
P30 O11P Gd3 140.44(19) . . ?
N5 O13N Gd2 97.1(2) . . ?
N5 O14N Gd2 94.3(3) . . ?
N6 O16N Gd4 97.1(3) . . ?
N6 O17N Gd4 95.5(3) . . ?
O1N N1 Gd1 59.4(2) . . ?
O1N N1 O2N 117.3(4) . . ?
O2N N1 Gd1 57.9(2) . . ?
O3N N1 Gd1 179.2(4) . . ?
O3N N1 O1N 121.0(4) . . ?
O3N N1 O2N 121.7(4) . . ?
O4N N2 Gd1 60.8(2) . . ?
O4N N2 O5N 117.8(4) . . ?
O5N N2 Gd1 57.3(2) . . ?
O6N N2 Gd1 173.9(3) . . ?
O6N N2 O4N 121.7(4) . . ?
O6N N2 O5N 120.4(4) . . ?
O7N N3 Gd1 57.9(2) . . ?
O7N N3 O8N 116.6(4) . . ?
O8N N3 Gd1 59.1(2) . . ?
O9N N3 Gd1 173.7(3) . . ?
O9N N3 O7N 122.8(4) . . ?
O9N N3 O8N 120.6(4) . . ?
O10N N4 Gd3 56.9(2) . . ?
O11N N4 Gd3 59.6(2) . . ?
O11N N4 O10N 116.5(4) . . ?
O12N N4 Gd3 178.8(4) . . ?
O12N N4 O10N 121.9(5) . . ?
O12N N4 O11N 121.6(5) . . ?
O13N N5 Gd2 57.4(2) . . ?
O13N N5 O14N 116.7(4) . . ?
O14N N5 Gd2 59.9(2) . . ?
O15N N5 Gd2 171.3(3) . . ?
O15N N5 O13N 121.7(4) . . ?
O15N N5 O14N 121.5(4) . . ?
O16N N6 Gd4 57.5(2) . . ?
O17N N6 Gd4 59.3(2) . . ?
O17N N6 O16N 116.8(4) . . ?
O18N N6 Gd4 178.8(4) . . ?
O18N N6 O16N 121.5(5) . . ?
O18N N6 O17N 121.8(5) . . ?
O1 C1 C2 116.9(4) . . ?
O2 C1 O1 124.4(4) . . ?
O2 C1 C2 118.7(4) . . ?
C2P C1P P1 107.5(3) . . ?
C3P C1P P1 108.1(3) . . ?
C3P C1P C2P 109.6(4) . . ?
C4P C1P P1 110.6(3) . . ?
C4P C1P C2P 110.9(4) . . ?
C4P C1P C3P 110.1(4) . . ?
C3 C2 C1 110.9(4) . . ?
C3 C2 C4 109.6(4) . . ?
C4 C2 C1 105.3(4) . . ?
C5 C2 C1 110.0(4) . . ?
C5 C2 C3 110.1(4) . . ?
C5 C2 C4 110.8(4) . . ?
C6P C5P P2 107.7(3) . . ?
C6P C5P C7P 111.1(4) . . ?
C6P C5P C8P 109.3(4) . . ?
C7P C5P P2 109.4(3) . . ?
C8P C5P P2 109.8(3) . . ?
C8P C5P C7P 109.5(4) . . ?
O3 C6 O4 124.5(4) . . ?
O3 C6 C7 118.4(4) . . ?
O4 C6 C7 117.2(4) . . ?
C6 C7 C8 109.6(4) . . ?
C9 C7 C6 110.3(4) . . ?
C9 C7 C8 108.4(6) . . ?
C10 C7 C6 107.4(4) . . ?
C10 C7 C8 110.2(6) . . ?
C10 C7 C9 111.0(5) . . ?
C10P C9P P3 108.9(3) . . ?
C11P C9P P3 110.3(3) . . ?
C11P C9P C10P 110.3(4) . . ?
C11P C9P C12P 109.8(4) . . ?
C12P C9P P3 109.2(3) . . ?
C12P C9P C10P 108.4(4) . . ?
C14P C13P P30 109.6(4) . . ?
C14P C13P C15P 110.4(5) . . ?
C14P C13P C16P 109.4(5) . . ?
C15P C13P P30 109.0(4) . . ?
C15P C13P C16P 109.8(5) . . ?
C16P C13P P30 108.6(4) . . ?
C21 N9 C25 121.8(4) . . ?
N9 C21 C22 120.2(5) . . ?
C21 C22 C23 119.6(5) . . ?
C24 C23 C22 119.0(5) . . ?
C23 C24 C25 119.6(5) . . ?
N9 C25 C24 119.8(5) . . ?
C16 N10 C20 121.0(5) . . ?
N10 C16 C17 121.0(5) . . ?
C18 C17 C16 119.0(6) . . ?
C17 C18 C19 120.2(6) . . ?
C18 C19 C20 119.9(6) . . ?
N10 C20 C19 118.9(6) . . ?
C11 N7 C15 122.2(5) . . ?
C12 C11 N7 119.3(6) . . ?
C11 C12 C13 120.6(6) . . ?
C14 C13 C12 120.1(5) . . ?
C13 C14 C15 118.2(5) . . ?
N7 C15 C14 119.5(5) . . ?
C29 N11 C33 115.6(13) . . ?
N11 C29 C30 119.2(13) . . ?
C31 C30 C29 114.5(13) . . ?
C30 C31 C32 124.9(14) . . ?
C33 C32 C31 114.1(13) . . ?
C32 C33 N11 117.0(13) . . ?
C28 N8 C28 121.4(13) . 2_655 ?
C27 C26 C27 124.0(12) . 2_655 ?
C26 C27 C28 119.9(8) . . ?
C27 C28 N8 117.5(9) . . ?

_olex2_submission_special_instructions 'No special instructions were received'





_database_code_depnum_ccdc_archive 'CCDC 1021472'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_Ho4P4
_audit_creation_date             2014-08-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H56 Ho4 N6 O35 P4, 4(C5 H6 N)'
_chemical_formula_sum            'C46 H80 Ho4 N10 O35 P4'
_chemical_formula_weight         2074.73
_chemical_melting_point          ?
_chemical_oxdiff_formula         Ho4P4N6O25C50H100
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'
Ho Ho -0.2175 4.6783 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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'

_cell_length_a                   44.7075(5)
_cell_length_b                   19.0970(2)
_cell_length_c                   23.9771(2)
_cell_angle_alpha                90
_cell_angle_beta                 91.2548(9)
_cell_angle_gamma                90
_cell_volume                     20466.1(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    27487
_cell_measurement_temperature    150.02(19)
_cell_measurement_theta_max      29.1860
_cell_measurement_theta_min      3.2430
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.186
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75243
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             8084
_exptl_crystal_size_max          0.9
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0614
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            67597
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.810
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.02(19)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3705
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -33.00   52.50   0.7500   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.6555   57.0000   60.0000 114

#__ type_ start__ end____ width___ exp.time_
  2 omega  -86.00   17.50   0.7500   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -11.6555  -57.0000  -90.0000 138

#__ type_ start__ end____ width___ exp.time_
  3 omega  -19.00   53.00   0.7500   30.0000
omega____ theta____ kappa____ phi______ frames
    -       11.6555  -99.0000 -180.0000 96
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0045117000
_diffrn_orient_matrix_UB_12      0.0218502000
_diffrn_orient_matrix_UB_13      -0.0225638000
_diffrn_orient_matrix_UB_21      -0.0127593000
_diffrn_orient_matrix_UB_22      0.0105653000
_diffrn_orient_matrix_UB_23      0.0149557000
_diffrn_orient_matrix_UB_31      0.0082918000
_diffrn_orient_matrix_UB_32      0.0281019000
_diffrn_orient_matrix_UB_33      0.0119558000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15970
_reflns_number_total             20818
_reflns_odcompleteness_completeness 99.52
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.266
_refine_diff_density_min         -1.849
_refine_diff_density_rms         0.122
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     872
_refine_ls_number_reflns         20818
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0361
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0373P)²+16.9591P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0816
_refine_ls_wR_factor_ref         0.0899
_refine_special_details          ?
_olex2_refinement_description    
;
Big solvent Voids are obtained during the first 
modelling of the data, due to non-localised solvent molecules. 
In order to get an idea of how many solvent molecules occupies the 
empty space, a SQUEZZE procedure was performed. A total of 1427 
electron counts were found, which were attributed to a total of 
34 molecules of isobutanol (42 electron counts per molecule). 
These molecules have been added to the molecular formula in the cif file
and not to the _chemical_formula_sum.

_chemical_formula_moiety          'C26 H56 Ho4 N6 O35 P4, 4(C5 H6 N), 34(C5 H5 N)'
_chemical_formula_sum             'C216 H250 Ho4 N44 O35 P4'
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ho1 Ho 0.25990(2) 0.88268(2) 0.20014(2) 0.02372(6) Uani 1 1 d . . . . .
Ho2 Ho 0.37992(2) 0.94779(2) 0.21908(2) 0.02676(6) Uani 1 1 d . . . . .
Ho3 Ho 0.36984(2) 0.75423(2) 0.19300(2) 0.02691(6) Uani 1 1 d . . . . .
Ho4 Ho 0.35875(2) 0.83029(2) 0.33825(2) 0.03003(7) Uani 1 1 d . . . . .
P1 P 0.31203(3) 0.94247(7) 0.30871(5) 0.0270(3) Uani 1 1 d . . . . .
P2 P 0.33109(3) 0.91353(6) 0.13396(4) 0.0243(3) Uani 1 1 d . . . . .
P3 P 0.30747(3) 0.73617(6) 0.23869(5) 0.0256(3) Uani 1 1 d . . . . .
P30 P 0.40377(4) 0.68359(9) 0.31484(7) 0.0549(4) Uani 1 1 d . . . . .
O1N O 0.21656(8) 0.94486(18) 0.24077(14) 0.0429(9) Uani 1 1 d . . . . .
O1P O 0.31262(7) 0.88558(17) 0.35496(12) 0.0316(8) Uani 1 1 d . . . . .
O2N O 0.23126(8) 0.85429(18) 0.28686(13) 0.0347(8) Uani 1 1 d . . . . .
O2P O 0.28593(7) 0.93659(17) 0.26896(12) 0.0318(8) Uani 1 1 d . . . . .
O3N O 0.19752(9) 0.9215(2) 0.32177(17) 0.0611(11) Uani 1 1 d . . . . .
O3P O 0.34286(7) 0.93379(16) 0.28189(12) 0.0266(7) Uani 1 1 d . . . . .
O4N O 0.23208(8) 0.93651(18) 0.12202(13) 0.0405(9) Uani 1 1 d . . . . .
O4P O 0.29909(7) 0.90073(16) 0.14702(12) 0.0295(7) Uani 1 1 d . . . . .
O5N O 0.25893(8) 1.01019(17) 0.16947(13) 0.0391(9) Uani 1 1 d . . . . .
O5P O 0.35270(6) 0.86063(16) 0.16191(11) 0.0259(7) Uani 1 1 d . . . . .
O6N O 0.23616(13) 1.0440(2) 0.09378(15) 0.0784(16) Uani 1 1 d . . . . .
O6P O 0.34360(7) 0.98466(16) 0.15487(12) 0.0314(8) Uani 1 1 d . . . . .
O7N O 0.21799(8) 0.80101(18) 0.17711(13) 0.0372(8) Uani 1 1 d . . . . .
O7P O 0.28214(7) 0.78610(17) 0.22937(13) 0.0331(8) Uani 1 1 d . . . . .
O8N O 0.25387(8) 0.79948(17) 0.11821(13) 0.0358(8) Uani 1 1 d . . . . .
O8P O 0.32157(7) 0.70997(17) 0.18414(12) 0.0314(8) Uani 1 1 d . . . . .
O9N O 0.21581(10) 0.7306(2) 0.10598(17) 0.0654(13) Uani 1 1 d . . . . .
O9P O 0.33466(7) 0.76847(16) 0.27010(12) 0.0278(7) Uani 1 1 d . . . . .
O10N O 0.33279(8) 0.7506(2) 0.40451(15) 0.0492(10) Uani 1 1 d . . . . .
O10P O 0.39106(9) 0.7408(2) 0.34991(15) 0.0526(6) Uani 1 1 d . . . . .
O11N O 0.36004(9) 0.8325(2) 0.44118(14) 0.0542(11) Uani 1 1 d . . . . .
O11P O 0.39361(9) 0.6844(2) 0.25538(15) 0.0526(6) Uani 1 1 d . . . . .
O12N O 0.33745(11) 0.7583(3) 0.49513(16) 0.0742(14) Uani 1 1 d . . . . .
O12P O 0.39618(9) 0.6095(2) 0.34040(15) 0.0526(6) Uani 1 1 d . . . . .
O13N O 0.37395(8) 1.07392(19) 0.24461(15) 0.0428(9) Uani 1 1 d . . . . .
O14N O 0.40795(8) 1.04858(19) 0.18508(14) 0.0413(9) Uani 1 1 d . . . . .
O15N O 0.40606(10) 1.1540(2) 0.21963(19) 0.0699(13) Uani 1 1 d . . . . .
O16N O 0.36377(8) 0.7270(2) 0.09110(14) 0.0433(9) Uani 1 1 d . . . . .
O17N O 0.38149(9) 0.6457(2) 0.14451(16) 0.0541(11) Uani 1 1 d . . . . .
O18N O 0.37689(14) 0.6269(3) 0.0561(2) 0.1004(19) Uani 1 1 d . . . . .
O37 O 0.38720(7) 0.83762(16) 0.25732(12) 0.0288(7) Uani 1 1 d . . . . .
O38 O 0.41350(7) 0.79063(19) 0.15361(13) 0.0372(8) Uani 1 1 d . . . . .
O42 O 0.41788(7) 0.90645(18) 0.16467(13) 0.0358(8) Uani 1 1 d . . . . .
O57 O 0.41217(7) 0.97071(18) 0.29370(13) 0.0385(9) Uani 1 1 d . . . . .
O61 O 0.39426(8) 0.90907(19) 0.36482(13) 0.0391(9) Uani 1 1 d . . . . .
N1 N 0.21455(10) 0.9074(2) 0.28423(17) 0.0400(11) Uani 1 1 d . . . . .
N2 N 0.24231(11) 0.9982(2) 0.12751(17) 0.0439(12) Uani 1 1 d . . . . .
N3 N 0.22897(11) 0.7757(2) 0.13259(18) 0.0411(11) Uani 1 1 d . . . . .
N4 N 0.34328(11) 0.7798(3) 0.44843(18) 0.0526(13) Uani 1 1 d . . . . .
N5 N 0.39621(11) 1.0937(3) 0.21678(19) 0.0460(12) Uani 1 1 d . . . . .
N6 N 0.37413(11) 0.6661(3) 0.0957(2) 0.0543(13) Uani 1 1 d . . . . .
C1 C 0.41088(11) 0.9556(3) 0.3445(2) 0.0356(12) Uani 1 1 d . . . . .
C1P C 0.30979(10) 1.0277(2) 0.34257(18) 0.0291(11) Uani 1 1 d . . . . .
C2 C 0.43109(12) 0.9964(3) 0.3860(2) 0.0439(14) Uani 1 1 d . . . . .
C2P C 0.30708(12) 1.0844(3) 0.2969(2) 0.0393(13) Uani 1 1 d . . . . .
H2PA H 0.3247 1.0839 0.2747 0.059 Uiso 1 1 calc GR . . . .
H2PB H 0.3050 1.1296 0.3140 0.059 Uiso 1 1 calc GR . . . .
H2PC H 0.2898 1.0751 0.2735 0.059 Uiso 1 1 calc GR . . . .
C3 C 0.45925(14) 0.9549(4) 0.3928(3) 0.088(3) Uani 1 1 d . . . . .
H3A H 0.4547 0.9096 0.4077 0.131 Uiso 1 1 calc GR . . . .
H3B H 0.4727 0.9789 0.4180 0.131 Uiso 1 1 calc GR . . . .
H3C H 0.4684 0.9496 0.3573 0.131 Uiso 1 1 calc GR . . . .
C3P C 0.33814(12) 1.0407(3) 0.3789(2) 0.0403(13) Uani 1 1 d . . . . .
H3PA H 0.3410 1.0025 0.4045 0.060 Uiso 1 1 calc GR . . . .
H3PB H 0.3359 1.0835 0.3995 0.060 Uiso 1 1 calc GR . . . .
H3PC H 0.3552 1.0443 0.3555 0.060 Uiso 1 1 calc GR . . . .
C4 C 0.41585(15) 1.0053(5) 0.4405(3) 0.109(4) Uani 1 1 d . . . . .
H4A H 0.3965 1.0261 0.4341 0.163 Uiso 1 1 calc GR . . . .
H4B H 0.4277 1.0351 0.4644 0.163 Uiso 1 1 calc GR . . . .
H4C H 0.4135 0.9604 0.4579 0.163 Uiso 1 1 calc GR . . . .
C4P C 0.28184(11) 1.0297(3) 0.3782(2) 0.0400(13) Uani 1 1 d . . . . .
H4PA H 0.2646 1.0185 0.3555 0.060 Uiso 1 1 calc GR . . . .
H4PB H 0.2796 1.0758 0.3936 0.060 Uiso 1 1 calc GR . . . .
H4PC H 0.2838 0.9962 0.4079 0.060 Uiso 1 1 calc GR . . . .
C5 C 0.4381(2) 1.0679(4) 0.3620(4) 0.117(4) Uani 1 1 d . . . . .
H5A H 0.4492 1.0624 0.3284 0.176 Uiso 1 1 calc GR . . . .
H5B H 0.4499 1.0941 0.3887 0.176 Uiso 1 1 calc GR . . . .
H5C H 0.4198 1.0924 0.3538 0.176 Uiso 1 1 calc GR . . . .
C5P C 0.33386(11) 0.9115(3) 0.05811(18) 0.0318(11) Uani 1 1 d . . . . .
C6 C 0.42505(11) 0.8488(3) 0.14216(18) 0.0349(12) Uani 1 1 d . . . . .
C6P C 0.31829(13) 0.9793(3) 0.0359(2) 0.0465(15) Uani 1 1 d . . . . .
H6PA H 0.2986 0.9825 0.0507 0.070 Uiso 1 1 calc GR . . . .
H6PB H 0.3169 0.9777 -0.0041 0.070 Uiso 1 1 calc GR . . . .
H6PC H 0.3298 1.0195 0.0473 0.070 Uiso 1 1 calc GR . . . .
C7 C 0.45010(11) 0.8493(3) 0.0999(2) 0.0406(13) Uani 1 1 d . . . . .
C7P C 0.31701(12) 0.8472(3) 0.03513(19) 0.0405(13) Uani 1 1 d . . . . .
H7PA H 0.3264 0.8053 0.0492 0.061 Uiso 1 1 calc GR . . . .
H7PB H 0.3176 0.8473 -0.0049 0.061 Uiso 1 1 calc GR . . . .
H7PC H 0.2966 0.8487 0.0467 0.061 Uiso 1 1 calc GR . . . .
C8 C 0.47773(12) 0.8182(3) 0.1301(2) 0.0558(16) Uani 1 1 d . . . . .
H8A H 0.4826 0.8458 0.1625 0.084 Uiso 1 1 calc GR . . . .
H8B H 0.4944 0.8185 0.1054 0.084 Uiso 1 1 calc GR . . . .
H8C H 0.4735 0.7710 0.1411 0.084 Uiso 1 1 calc GR . . . .
C8P C 0.36665(12) 0.9094(3) 0.0419(2) 0.0460(14) Uani 1 1 d . . . . .
H8PA H 0.3772 0.9474 0.0596 0.069 Uiso 1 1 calc GR . . . .
H8PB H 0.3680 0.9137 0.0021 0.069 Uiso 1 1 calc GR . . . .
H8PC H 0.3753 0.8657 0.0537 0.069 Uiso 1 1 calc GR . . . .
C9 C 0.45727(13) 0.9231(3) 0.0805(2) 0.0541(16) Uani 1 1 d . . . . .
H9A H 0.4397 0.9437 0.0636 0.081 Uiso 1 1 calc GR . . . .
H9B H 0.4729 0.9213 0.0537 0.081 Uiso 1 1 calc GR . . . .
H9C H 0.4637 0.9509 0.1119 0.081 Uiso 1 1 calc GR . . . .
C9P C 0.29296(11) 0.6629(2) 0.27698(18) 0.0311(11) Uani 1 1 d . . . . .
C10 C 0.44141(14) 0.8043(4) 0.0494(2) 0.0643(19) Uani 1 1 d . . . . .
H10A H 0.4350 0.7590 0.0618 0.096 Uiso 1 1 calc GR . . . .
H10B H 0.4584 0.7991 0.0258 0.096 Uiso 1 1 calc GR . . . .
H10C H 0.4254 0.8265 0.0288 0.096 Uiso 1 1 calc GR . . . .
C10P C 0.27026(12) 0.6244(3) 0.2386(2) 0.0471(15) Uani 1 1 d . . . . .
H10D H 0.2559 0.6574 0.2239 0.071 Uiso 1 1 calc GR . . . .
H10E H 0.2601 0.5892 0.2596 0.071 Uiso 1 1 calc GR . . . .
H10F H 0.2806 0.6028 0.2085 0.071 Uiso 1 1 calc GR . . . .
C11P C 0.27646(13) 0.6911(3) 0.3280(2) 0.0461(14) Uani 1 1 d . . . . .
H11A H 0.2906 0.7118 0.3537 0.069 Uiso 1 1 calc GR . . . .
H11B H 0.2663 0.6534 0.3460 0.069 Uiso 1 1 calc GR . . . .
H11C H 0.2622 0.7258 0.3161 0.069 Uiso 1 1 calc GR . . . .
C12P C 0.31800(12) 0.6133(3) 0.2961(2) 0.0487(15) Uani 1 1 d . . . . .
H12A H 0.3288 0.5974 0.2642 0.073 Uiso 1 1 calc GR . . . .
H12B H 0.3095 0.5737 0.3148 0.073 Uiso 1 1 calc GR . . . .
H12C H 0.3314 0.6375 0.3212 0.073 Uiso 1 1 calc GR . . . .
C13P C 0.44357(14) 0.6881(4) 0.3178(2) 0.0575(17) Uani 1 1 d . . . . .
C14P C 0.45612(19) 0.6261(5) 0.2845(4) 0.110(3) Uani 1 1 d . . . . .
H14A H 0.4503 0.5829 0.3016 0.165 Uiso 1 1 calc GR . . . .
H14B H 0.4776 0.6290 0.2843 0.165 Uiso 1 1 calc GR . . . .
H14C H 0.4484 0.6278 0.2469 0.165 Uiso 1 1 calc GR . . . .
C15P C 0.45406(16) 0.6859(4) 0.3792(3) 0.087(3) Uani 1 1 d . . . . .
H15A H 0.4468 0.7266 0.3982 0.131 Uiso 1 1 calc GR . . . .
H15B H 0.4755 0.6852 0.3813 0.131 Uiso 1 1 calc GR . . . .
H15C H 0.4464 0.6446 0.3966 0.131 Uiso 1 1 calc GR . . . .
C16P C 0.45426(15) 0.7574(4) 0.2915(3) 0.079(2) Uani 1 1 d . . . . .
H16A H 0.4478 0.7592 0.2531 0.119 Uiso 1 1 calc GR . . . .
H16B H 0.4757 0.7598 0.2939 0.119 Uiso 1 1 calc GR . . . .
H16C H 0.4459 0.7963 0.3112 0.119 Uiso 1 1 calc GR . . . .
N8 N 0.27287(10) 1.1451(2) -0.07177(16) 0.0399(11) Uani 1 1 d . . . . .
H8 H 0.2851 1.1387 -0.0985 0.048 Uiso 1 1 calc R . . . .
C19 C 0.24433(13) 1.1612(3) -0.0842(2) 0.0451(14) Uani 1 1 d . . . . .
H19 H 0.2381 1.1657 -0.1212 0.054 Uiso 1 1 calc R . . . .
C20 C 0.22450(13) 1.1709(3) -0.0427(2) 0.0440(14) Uani 1 1 d . . . . .
H20 H 0.2046 1.1814 -0.0513 0.053 Uiso 1 1 calc R . . . .
C21 C 0.23399(14) 1.1650(3) 0.0120(2) 0.0485(15) Uani 1 1 d . . . . .
H21 H 0.2207 1.1722 0.0408 0.058 Uiso 1 1 calc R . . . .
C22 C 0.26374(15) 1.1481(3) 0.0235(2) 0.0521(16) Uani 1 1 d . . . . .
H22 H 0.2706 1.1433 0.0602 0.063 Uiso 1 1 calc R . . . .
C23 C 0.28281(13) 1.1387(3) -0.0192(2) 0.0456(14) Uani 1 1 d . . . . .
H23 H 0.3028 1.1277 -0.0118 0.055 Uiso 1 1 calc R . . . .
N7 N 0.33104(13) 0.8841(3) 0.6441(2) 0.0561(14) Uani 1 1 d . . . . .
H7 H 0.3318 0.9291 0.6428 0.067 Uiso 1 1 calc R . . . .
C11 C 0.35366(17) 0.8469(4) 0.6217(3) 0.0691(19) Uani 1 1 d . . . . .
H11 H 0.3694 0.8694 0.6043 0.083 Uiso 1 1 calc R . . . .
C12 C 0.35273(17) 0.7751(4) 0.6253(3) 0.070(2) Uani 1 1 d . . . . .
H12 H 0.3678 0.7482 0.6099 0.084 Uiso 1 1 calc R . . . .
C13 C 0.33003(19) 0.7445(4) 0.6511(4) 0.082(2) Uani 1 1 d . . . . .
H13 H 0.3297 0.6959 0.6544 0.099 Uiso 1 1 calc R . . . .
C14 C 0.30773(19) 0.7823(4) 0.6724(3) 0.070(2) Uani 1 1 d . . . . .
H14 H 0.2921 0.7602 0.6902 0.085 Uiso 1 1 calc R . . . .
C15 C 0.30823(16) 0.8546(4) 0.6677(2) 0.0626(18) Uani 1 1 d . . . . .
H15 H 0.2926 0.8816 0.6810 0.075 Uiso 1 1 calc R . . . .
N10 N 0.29929(10) 0.6423(2) 0.09830(16) 0.0419(11) Uani 1 1 d . . . . .
H10 H 0.3051 0.6699 0.1248 0.050 Uiso 1 1 calc R . . . .
C24 C 0.30592(16) 0.5753(4) 0.1019(2) 0.0624(18) Uani 1 1 d . . . . .
H24 H 0.3167 0.5585 0.1327 0.075 Uiso 1 1 calc R . . . .
C25 C 0.29711(18) 0.5309(3) 0.0609(3) 0.077(2) Uani 1 1 d . . . . .
H25 H 0.3015 0.4834 0.0636 0.092 Uiso 1 1 calc R . . . .
C26 C 0.28170(16) 0.5562(4) 0.0155(2) 0.068(2) Uani 1 1 d . . . . .
H26 H 0.2757 0.5260 -0.0130 0.082 Uiso 1 1 calc R . . . .
C27 C 0.27507(14) 0.6261(4) 0.0120(2) 0.0571(17) Uani 1 1 d . . . . .
H27 H 0.2648 0.6441 -0.0190 0.068 Uiso 1 1 calc R . . . .
C28 C 0.28395(13) 0.6689(3) 0.0552(2) 0.0466(14) Uani 1 1 d . . . . .
H28 H 0.2793 0.7163 0.0542 0.056 Uiso 1 1 calc R . . . .
N9 N 0.5000 1.1179(7) 0.2500 0.126(4) Uani 1 2 d S T P . .
H9 H 0.5000 1.1630 0.2500 0.151 Uiso 1 2 calc RS T P . .
C16 C 0.5000 0.9787(8) 0.2500 0.100(4) Uani 1 2 d S T P . .
H16 H 0.5000 0.9300 0.2500 0.120 Uiso 1 2 calc RS T P . .
C17 C 0.47673(17) 1.0128(6) 0.2256(3) 0.091(3) Uani 1 1 d . . . . .
H17 H 0.4609 0.9881 0.2094 0.109 Uiso 1 1 calc R . . . .
C18 C 0.47699(18) 1.0822(7) 0.2252(4) 0.101(3) Uani 1 1 d . . . . .
H18 H 0.4614 1.1066 0.2078 0.122 Uiso 1 1 calc R . . . .


_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
Ho1 O1N 2.490(4) . ?
Ho1 O2N 2.525(3) . ?
Ho1 O2P 2.248(3) . ?
Ho1 O4N 2.452(3) . ?
Ho1 O4P 2.215(3) . ?
Ho1 O5N 2.544(3) . ?
Ho1 O7N 2.491(3) . ?
Ho1 O7P 2.202(3) . ?
Ho1 O8N 2.536(3) . ?
Ho1 N1 2.929(4) . ?
Ho1 N2 2.908(4) . ?
Ho1 N3 2.934(4) . ?
Ho2 Ho3 3.7743(3) . ?
Ho2 Ho4 3.7701(3) . ?
Ho2 P2 3.0271(11) . ?
Ho2 O3P 2.279(3) . ?
Ho2 O5P 2.461(3) . ?
Ho2 O6P 2.322(3) . ?
Ho2 O13N 2.501(4) . ?
Ho2 O14N 2.446(3) . ?
Ho2 O37 2.315(3) . ?
Ho2 O42 2.303(3) . ?
Ho2 O57 2.315(3) . ?
Ho2 N5 2.881(5) . ?
Ho3 Ho4 3.8159(3) . ?
Ho3 P3 3.0379(13) . ?
Ho3 O5P 2.291(3) . ?
Ho3 O8P 2.323(3) . ?
Ho3 O9P 2.468(3) . ?
Ho3 O11P 2.253(3) . ?
Ho3 O16N 2.507(3) . ?
Ho3 O17N 2.438(4) . ?
Ho3 O37 2.338(3) . ?
Ho3 O38 2.295(4) . ?
Ho3 N6 2.886(5) . ?
Ho4 P1 3.0642(13) . ?
Ho4 O1P 2.359(3) . ?
Ho4 O3P 2.489(3) . ?
Ho4 O9P 2.269(3) . ?
Ho4 O10N 2.503(4) . ?
Ho4 O10P 2.251(4) . ?
Ho4 O11N 2.468(3) . ?
Ho4 O37 2.347(3) . ?
Ho4 O61 2.268(3) . ?
Ho4 N4 2.910(5) . ?
P1 O1P 1.552(3) . ?
P1 O2P 1.494(3) . ?
P1 O3P 1.543(3) . ?
P1 C1P 1.822(5) . ?
P2 O4P 1.491(3) . ?
P2 O5P 1.541(3) . ?
P2 O6P 1.548(3) . ?
P2 C5P 1.826(4) . ?
P3 O7P 1.494(3) . ?
P3 O8P 1.548(3) . ?
P3 O9P 1.544(3) . ?
P3 C9P 1.802(5) . ?
P30 O10P 1.498(4) . ?
P30 O11P 1.487(4) . ?
P30 O12P 1.582(4) . ?
P30 C13P 1.781(6) . ?
O1N N1 1.269(5) . ?
O2N N1 1.261(5) . ?
O3N N1 1.222(5) . ?
O4N N2 1.269(5) . ?
O5N N2 1.258(5) . ?
O6N N2 1.219(5) . ?
O7N N3 1.279(5) . ?
O8N N3 1.257(5) . ?
O9N N3 1.216(5) . ?
O10N N4 1.272(6) . ?
O11N N4 1.268(6) . ?
O12N N4 1.226(6) . ?
O13N N5 1.268(6) . ?
O14N N5 1.270(6) . ?
O15N N5 1.234(6) . ?
O16N N6 1.257(6) . ?
O17N N6 1.269(6) . ?
O18N N6 1.218(6) . ?
O38 C6 1.258(6) . ?
O42 C6 1.270(6) . ?
O57 C1 1.254(6) . ?
O61 C1 1.263(6) . ?
C1 C2 1.540(6) . ?
C1P C2P 1.544(6) . ?
C1P C3P 1.543(6) . ?
C1P C4P 1.530(7) . ?
C2 C3 1.493(8) . ?
C2 C4 1.497(8) . ?
C2 C5 1.517(9) . ?
C5P C6P 1.558(7) . ?
C5P C7P 1.538(7) . ?
C5P C8P 1.525(7) . ?
C6 C7 1.526(7) . ?
C7 C8 1.537(7) . ?
C7 C9 1.521(8) . ?
C7 C10 1.529(7) . ?
C9P C10P 1.540(6) . ?
C9P C11P 1.539(7) . ?
C9P C12P 1.529(7) . ?
C13P C14P 1.541(10) . ?
C13P C15P 1.535(8) . ?
C13P C16P 1.546(9) . ?
N8 C19 1.340(7) . ?
N8 C23 1.332(6) . ?
C19 C20 1.358(7) . ?
C20 C21 1.374(7) . ?
C21 C22 1.391(8) . ?
C22 C23 1.359(8) . ?
N7 C11 1.357(8) . ?
N7 C15 1.304(8) . ?
C11 C12 1.373(9) . ?
C12 C13 1.336(10) . ?
C13 C14 1.341(10) . ?
C14 C15 1.387(9) . ?
N10 C24 1.316(7) . ?
N10 C28 1.329(6) . ?
C24 C25 1.351(8) . ?
C25 C26 1.363(9) . ?
C26 C27 1.369(8) . ?
C27 C28 1.371(7) . ?
N9 C18 1.361(11) 2_655 ?
N9 C18 1.361(11) . ?
C16 C17 1.350(11) 2_655 ?
C16 C17 1.350(11) . ?
C17 C18 1.326(12) . ?

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
O1N Ho1 O2N 50.72(11) . . ?
O1N Ho1 O5N 69.39(11) . . ?
O1N Ho1 O7N 78.29(12) . . ?
O1N Ho1 O8N 122.10(12) . . ?
O1N Ho1 N1 25.46(11) . . ?
O1N Ho1 N2 70.73(12) . . ?
O1N Ho1 N3 100.74(13) . . ?
O2N Ho1 O5N 115.96(11) . . ?
O2N Ho1 O8N 117.14(11) . . ?
O2N Ho1 N1 25.36(11) . . ?
O2N Ho1 N2 121.38(12) . . ?
O2N Ho1 N3 93.65(12) . . ?
O2P Ho1 O1N 83.63(12) . . ?
O2P Ho1 O2N 75.97(11) . . ?
O2P Ho1 O4N 127.92(11) . . ?
O2P Ho1 O5N 77.24(11) . . ?
O2P Ho1 O7N 145.53(11) . . ?
O2P Ho1 O8N 154.17(11) . . ?
O2P Ho1 N1 77.04(12) . . ?
O2P Ho1 N2 102.77(12) . . ?
O2P Ho1 N3 162.59(11) . . ?
O4N Ho1 O1N 73.30(12) . . ?
O4N Ho1 O2N 117.47(12) . . ?
O4N Ho1 O5N 51.13(11) . . ?
O4N Ho1 O7N 74.13(11) . . ?
O4N Ho1 O8N 68.13(11) . . ?
O4N Ho1 N1 96.37(13) . . ?
O4N Ho1 N2 25.62(11) . . ?
O4N Ho1 N3 69.21(11) . . ?
O4P Ho1 O1N 141.53(11) . . ?
O4P Ho1 O2N 158.23(10) . . ?
O4P Ho1 O2P 87.00(11) . . ?
O4P Ho1 O4N 83.68(12) . . ?
O4P Ho1 O5N 72.16(11) . . ?
O4P Ho1 O7N 124.79(11) . . ?
O4P Ho1 O8N 73.99(11) . . ?
O4P Ho1 N1 159.84(12) . . ?
O4P Ho1 N2 75.20(12) . . ?
O4P Ho1 N3 99.21(13) . . ?
O5N Ho1 N1 92.11(12) . . ?
O5N Ho1 N2 25.59(11) . . ?
O5N Ho1 N3 120.12(11) . . ?
O7N Ho1 O2N 69.84(10) . . ?
O7N Ho1 O5N 121.81(11) . . ?
O7N Ho1 O8N 50.90(11) . . ?
O7N Ho1 N1 74.02(12) . . ?
O7N Ho1 N2 98.61(12) . . ?
O7N Ho1 N3 25.64(12) . . ?
O7P Ho1 O1N 128.66(11) . . ?
O7P Ho1 O2N 77.97(12) . . ?
O7P Ho1 O2P 85.83(12) . . ?
O7P Ho1 O4N 144.31(11) . . ?
O7P Ho1 O4P 87.49(12) . . ?
O7P Ho1 O5N 153.96(11) . . ?
O7P Ho1 O7N 83.01(11) . . ?
O7P Ho1 O8N 76.20(11) . . ?
O7P Ho1 N1 103.32(13) . . ?
O7P Ho1 N2 160.06(12) . . ?
O7P Ho1 N3 78.27(11) . . ?
O8N Ho1 O5N 112.02(10) . . ?
O8N Ho1 N1 124.80(12) . . ?
O8N Ho1 N2 89.34(11) . . ?
O8N Ho1 N3 25.26(11) . . ?
N1 Ho1 N3 99.62(13) . . ?
N2 Ho1 N1 96.18(13) . . ?
N2 Ho1 N3 94.55(12) . . ?
Ho4 Ho2 Ho3 60.767(6) . . ?
P2 Ho2 Ho3 66.10(2) . . ?
P2 Ho2 Ho4 101.13(2) . . ?
O3P Ho2 Ho3 84.76(7) . . ?
O3P Ho2 Ho4 39.75(7) . . ?
O3P Ho2 P2 84.04(7) . . ?
O3P Ho2 O5P 86.05(10) . . ?
O3P Ho2 O6P 88.04(11) . . ?
O3P Ho2 O13N 82.43(12) . . ?
O3P Ho2 O14N 134.24(12) . . ?
O3P Ho2 O37 74.31(11) . . ?
O3P Ho2 O42 152.83(12) . . ?
O3P Ho2 O57 87.76(11) . . ?
O3P Ho2 N5 108.30(13) . . ?
O5P Ho2 Ho3 35.86(7) . . ?
O5P Ho2 Ho4 83.70(7) . . ?
O5P Ho2 P2 30.44(7) . . ?
O5P Ho2 O13N 137.19(10) . . ?
O5P Ho2 N5 139.96(11) . . ?
O6P Ho2 Ho3 96.20(8) . . ?
O6P Ho2 Ho4 119.96(8) . . ?
O6P Ho2 P2 30.13(8) . . ?
O6P Ho2 O5P 60.39(10) . . ?
O6P Ho2 O13N 78.08(11) . . ?
O6P Ho2 O14N 84.05(11) . . ?
O6P Ho2 N5 82.39(11) . . ?
O13N Ho2 Ho3 166.12(9) . . ?
O13N Ho2 Ho4 110.97(9) . . ?
O13N Ho2 P2 107.10(8) . . ?
O13N Ho2 N5 26.05(12) . . ?
O14N Ho2 Ho3 140.85(9) . . ?
O14N Ho2 Ho4 149.29(8) . . ?
O14N Ho2 P2 108.21(8) . . ?
O14N Ho2 O5P 126.67(10) . . ?
O14N Ho2 O13N 51.83(12) . . ?
O14N Ho2 N5 25.97(12) . . ?
O37 Ho2 Ho3 35.99(7) . . ?
O37 Ho2 Ho4 36.33(8) . . ?
O37 Ho2 P2 99.42(7) . . ?
O37 Ho2 O5P 70.70(9) . . ?
O37 Ho2 O6P 128.92(10) . . ?
O37 Ho2 O13N 142.48(11) . . ?
O37 Ho2 O14N 141.11(11) . . ?
O37 Ho2 N5 148.55(11) . . ?
O42 Ho2 Ho3 69.94(9) . . ?
O42 Ho2 Ho4 115.19(8) . . ?
O42 Ho2 P2 94.21(8) . . ?
O42 Ho2 O5P 79.28(11) . . ?
O42 Ho2 O6P 103.98(11) . . ?
O42 Ho2 O13N 123.56(12) . . ?
O42 Ho2 O14N 72.04(12) . . ?
O42 Ho2 O37 79.27(12) . . ?
O42 Ho2 O57 92.77(12) . . ?
O42 Ho2 N5 97.52(14) . . ?
O57 Ho2 Ho3 112.53(9) . . ?
O57 Ho2 Ho4 71.89(8) . . ?
O57 Ho2 P2 171.78(9) . . ?
O57 Ho2 O5P 148.25(11) . . ?
O57 Ho2 O6P 150.43(12) . . ?
O57 Ho2 O13N 72.35(12) . . ?
O57 Ho2 O14N 78.10(11) . . ?
O57 Ho2 O37 77.64(11) . . ?
O57 Ho2 N5 71.24(12) . . ?
N5 Ho2 Ho3 166.75(11) . . ?
N5 Ho2 Ho4 131.15(10) . . ?
N5 Ho2 P2 112.03(9) . . ?
Ho2 Ho3 Ho4 59.563(6) . . ?
P3 Ho3 Ho2 99.12(2) . . ?
P3 Ho3 Ho4 64.87(2) . . ?
O5P Ho3 Ho2 39.01(7) . . ?
O5P Ho3 Ho4 84.84(7) . . ?
O5P Ho3 P3 85.12(8) . . ?
O5P Ho3 O8P 89.40(11) . . ?
O5P Ho3 O9P 86.09(10) . . ?
O5P Ho3 O16N 80.71(11) . . ?
O5P Ho3 O17N 132.25(11) . . ?
O5P Ho3 O37 73.39(10) . . ?
O5P Ho3 O38 83.04(12) . . ?
O5P Ho3 N6 106.40(13) . . ?
O8P Ho3 Ho2 118.60(8) . . ?
O8P Ho3 Ho4 94.75(7) . . ?
O8P Ho3 P3 29.94(8) . . ?
O8P Ho3 O9P 60.17(10) . . ?
O8P Ho3 O16N 75.81(11) . . ?
O8P Ho3 O17N 81.66(13) . . ?
O8P Ho3 O37 127.04(11) . . ?
O8P Ho3 N6 77.99(13) . . ?
O9P Ho3 Ho2 81.01(7) . . ?
O9P Ho3 Ho4 34.59(7) . . ?
O9P Ho3 P3 30.39(7) . . ?
O9P Ho3 O16N 134.07(11) . . ?
O9P Ho3 N6 136.39(12) . . ?
O11P Ho3 Ho2 114.64(10) . . ?
O11P Ho3 Ho4 71.83(10) . . ?
O11P Ho3 P3 96.69(11) . . ?
O11P Ho3 O5P 152.96(12) . . ?
O11P Ho3 O8P 105.61(13) . . ?
O11P Ho3 O9P 82.35(12) . . ?
O11P Ho3 O16N 124.32(13) . . ?
O11P Ho3 O17N 73.20(13) . . ?
O11P Ho3 O37 79.65(12) . . ?
O11P Ho3 O38 93.41(13) . . ?
O11P Ho3 N6 98.77(15) . . ?
O16N Ho3 Ho2 112.01(9) . . ?
O16N Ho3 Ho4 162.75(9) . . ?
O16N Ho3 P3 104.31(9) . . ?
O16N Ho3 N6 25.73(12) . . ?
O17N Ho3 Ho2 152.32(10) . . ?
O17N Ho3 Ho4 142.39(9) . . ?
O17N Ho3 P3 106.43(10) . . ?
O17N Ho3 O9P 126.66(12) . . ?
O17N Ho3 O16N 51.58(12) . . ?
O17N Ho3 N6 25.86(13) . . ?
O37 Ho3 Ho2 35.59(7) . . ?
O37 Ho3 Ho4 35.55(8) . . ?
O37 Ho3 P3 97.66(8) . . ?
O37 Ho3 O9P 68.81(10) . . ?
O37 Ho3 O16N 144.26(12) . . ?
O37 Ho3 O17N 145.33(12) . . ?
O37 Ho3 N6 154.64(13) . . ?
O38 Ho3 Ho2 70.85(9) . . ?
O38 Ho3 Ho4 112.90(8) . . ?
O38 Ho3 P3 168.12(9) . . ?
O38 Ho3 O8P 150.40(11) . . ?
O38 Ho3 O9P 146.78(11) . . ?
O38 Ho3 O16N 74.74(12) . . ?
O38 Ho3 O17N 82.46(13) . . ?
O38 Ho3 O37 78.00(11) . . ?
O38 Ho3 N6 76.83(13) . . ?
N6 Ho3 Ho2 134.07(11) . . ?
N6 Ho3 Ho4 166.36(11) . . ?
N6 Ho3 P3 107.63(10) . . ?
Ho2 Ho4 Ho3 59.670(6) . . ?
P1 Ho4 Ho2 65.79(2) . . ?
P1 Ho4 Ho3 99.02(2) . . ?
O1P Ho4 Ho2 95.58(7) . . ?
O1P Ho4 Ho3 117.19(7) . . ?
O1P Ho4 P1 29.80(8) . . ?
O1P Ho4 O3P 59.77(10) . . ?
O1P Ho4 O10N 75.23(12) . . ?
O1P Ho4 O11N 79.87(12) . . ?
O1P Ho4 N4 76.59(12) . . ?
O3P Ho4 Ho2 35.83(7) . . ?
O3P Ho4 Ho3 81.26(7) . . ?
O3P Ho4 P1 30.04(7) . . ?
O3P Ho4 O10N 134.14(11) . . ?
O3P Ho4 N4 133.26(12) . . ?
O9P Ho4 Ho2 83.51(8) . . ?
O9P Ho4 Ho3 38.15(8) . . ?
O9P Ho4 P1 83.51(8) . . ?
O9P Ho4 O1P 87.27(11) . . ?
O9P Ho4 O3P 84.08(10) . . ?
O9P Ho4 O10N 85.50(11) . . ?
O9P Ho4 O11N 136.84(13) . . ?
O9P Ho4 O37 72.12(10) . . ?
O9P Ho4 O61 149.97(11) . . ?
O9P Ho4 N4 111.29(14) . . ?
O10N Ho4 Ho2 166.00(8) . . ?
O10N Ho4 Ho3 114.80(9) . . ?
O10N Ho4 P1 104.38(9) . . ?
O10N Ho4 N4 25.80(13) . . ?
O10P Ho4 Ho2 112.03(10) . . ?
O10P Ho4 Ho3 74.25(9) . . ?
O10P Ho4 P1 172.65(10) . . ?
O10P Ho4 O1P 151.60(13) . . ?
O10P Ho4 O3P 147.68(12) . . ?
O10P Ho4 O9P 89.29(12) . . ?
O10P Ho4 O10N 76.40(14) . . ?
O10P Ho4 O11N 83.54(14) . . ?
O10P Ho4 O37 77.89(12) . . ?
O10P Ho4 O61 91.46(14) . . ?
O10P Ho4 N4 78.48(14) . . ?
O11N Ho4 Ho2 138.35(10) . . ?
O11N Ho4 Ho3 156.71(10) . . ?
O11N Ho4 P1 102.73(10) . . ?
O11N Ho4 O3P 121.99(12) . . ?
O11N Ho4 O10N 51.42(13) . . ?
O11N Ho4 N4 25.63(13) . . ?
O37 Ho4 Ho2 35.75(7) . . ?
O37 Ho4 Ho3 35.38(7) . . ?
O37 Ho4 P1 98.41(8) . . ?
O37 Ho4 O1P 127.24(10) . . ?
O37 Ho4 O3P 69.95(10) . . ?
O37 Ho4 O10N 145.90(12) . . ?
O37 Ho4 O11N 145.53(12) . . ?
O37 Ho4 N4 156.08(12) . . ?
O61 Ho4 Ho2 68.43(8) . . ?
O61 Ho4 Ho3 113.87(8) . . ?
O61 Ho4 P1 94.05(9) . . ?
O61 Ho4 O1P 105.34(12) . . ?
O61 Ho4 O3P 79.37(11) . . ?
O61 Ho4 O10N 123.79(12) . . ?
O61 Ho4 O11N 72.96(13) . . ?
O61 Ho4 O37 78.70(11) . . ?
O61 Ho4 N4 98.25(14) . . ?
N4 Ho4 Ho2 162.53(11) . . ?
N4 Ho4 Ho3 137.80(11) . . ?
N4 Ho4 P1 105.49(10) . . ?
O1P P1 Ho4 49.06(12) . . ?
O1P P1 C1P 107.88(19) . . ?
O2P P1 Ho4 127.85(14) . . ?
O2P P1 O1P 113.83(19) . . ?
O2P P1 O3P 114.72(17) . . ?
O2P P1 C1P 107.5(2) . . ?
O3P P1 Ho4 53.87(11) . . ?
O3P P1 O1P 102.78(18) . . ?
O3P P1 C1P 109.9(2) . . ?
C1P P1 Ho4 124.41(14) . . ?
O4P P2 Ho2 125.09(12) . . ?
O4P P2 O5P 113.36(18) . . ?
O4P P2 O6P 114.66(19) . . ?
O4P P2 C5P 106.98(19) . . ?
O5P P2 Ho2 54.02(11) . . ?
O5P P2 O6P 102.46(16) . . ?
O5P P2 C5P 111.3(2) . . ?
O6P P2 Ho2 48.86(11) . . ?
O6P P2 C5P 108.0(2) . . ?
C5P P2 Ho2 127.75(16) . . ?
O7P P3 Ho3 124.93(14) . . ?
O7P P3 O8P 113.67(18) . . ?
O7P P3 O9P 113.85(18) . . ?
O7P P3 C9P 107.0(2) . . ?
O8P P3 Ho3 48.53(12) . . ?
O8P P3 C9P 109.7(2) . . ?
O9P P3 Ho3 53.96(12) . . ?
O9P P3 O8P 102.15(18) . . ?
O9P P3 C9P 110.49(18) . . ?
C9P P3 Ho3 127.97(17) . . ?
O10P P30 O12P 110.3(2) . . ?
O10P P30 C13P 109.4(3) . . ?
O11P P30 O10P 114.8(2) . . ?
O11P P30 O12P 108.5(2) . . ?
O11P P30 C13P 108.8(3) . . ?
O12P P30 C13P 104.5(3) . . ?
N1 O1N Ho1 97.0(3) . . ?
P1 O1P Ho4 101.14(16) . . ?
N1 O2N Ho1 95.6(3) . . ?
P1 O2P Ho1 152.5(2) . . ?
Ho2 O3P Ho4 104.42(12) . . ?
P1 O3P Ho2 158.75(18) . . ?
P1 O3P Ho4 96.08(14) . . ?
N2 O4N Ho1 97.7(3) . . ?
P2 O4P Ho1 157.00(18) . . ?
N2 O5N Ho1 93.6(3) . . ?
Ho3 O5P Ho2 105.13(10) . . ?
P2 O5P Ho2 95.54(14) . . ?
P2 O5P Ho3 157.69(18) . . ?
P2 O6P Ho2 101.01(15) . . ?
N3 O7N Ho1 96.9(3) . . ?
P3 O7P Ho1 156.6(2) . . ?
N3 O8N Ho1 95.4(3) . . ?
P3 O8P Ho3 101.53(14) . . ?
Ho4 O9P Ho3 107.25(12) . . ?
P3 O9P Ho3 95.65(14) . . ?
P3 O9P Ho4 156.2(2) . . ?
N4 O10N Ho4 95.3(3) . . ?
P30 O10P Ho4 137.2(2) . . ?
N4 O11N Ho4 97.1(3) . . ?
P30 O11P Ho3 140.6(2) . . ?
N5 O13N Ho2 93.9(3) . . ?
N5 O14N Ho2 96.5(3) . . ?
N6 O16N Ho3 94.3(3) . . ?
N6 O17N Ho3 97.2(3) . . ?
Ho2 O37 Ho3 108.42(11) . . ?
Ho2 O37 Ho4 107.91(12) . . ?
Ho3 O37 Ho4 109.07(12) . . ?
C6 O38 Ho3 135.6(3) . . ?
C6 O42 Ho2 137.2(3) . . ?
C1 O57 Ho2 131.7(3) . . ?
C1 O61 Ho4 140.5(3) . . ?
O1N N1 Ho1 57.5(2) . . ?
O2N N1 Ho1 59.1(2) . . ?
O2N N1 O1N 116.3(4) . . ?
O3N N1 Ho1 174.2(4) . . ?
O3N N1 O1N 122.5(5) . . ?
O3N N1 O2N 121.2(4) . . ?
O4N N2 Ho1 56.7(2) . . ?
O5N N2 Ho1 60.8(2) . . ?
O5N N2 O4N 117.2(4) . . ?
O6N N2 Ho1 174.9(4) . . ?
O6N N2 O4N 121.5(5) . . ?
O6N N2 O5N 121.3(5) . . ?
O7N N3 Ho1 57.4(2) . . ?
O8N N3 Ho1 59.4(2) . . ?
O8N N3 O7N 116.8(4) . . ?
O9N N3 Ho1 178.1(4) . . ?
O9N N3 O7N 121.0(5) . . ?
O9N N3 O8N 122.2(5) . . ?
O10N N4 Ho4 58.9(2) . . ?
O11N N4 Ho4 57.3(2) . . ?
O11N N4 O10N 116.2(4) . . ?
O12N N4 Ho4 178.5(4) . . ?
O12N N4 O10N 121.8(6) . . ?
O12N N4 O11N 122.0(5) . . ?
O13N N5 Ho2 60.0(3) . . ?
O13N N5 O14N 116.9(4) . . ?
O14N N5 Ho2 57.5(2) . . ?
O15N N5 Ho2 172.5(4) . . ?
O15N N5 O13N 122.1(5) . . ?
O15N N5 O14N 121.0(5) . . ?
O16N N6 Ho3 60.0(2) . . ?
O16N N6 O17N 116.9(4) . . ?
O17N N6 Ho3 56.9(2) . . ?
O18N N6 Ho3 177.0(5) . . ?
O18N N6 O16N 122.9(5) . . ?
O18N N6 O17N 120.2(6) . . ?
O57 C1 O61 125.3(4) . . ?
O57 C1 C2 118.2(5) . . ?
O61 C1 C2 116.6(4) . . ?
C2P C1P P1 108.4(3) . . ?
C3P C1P P1 110.1(3) . . ?
C3P C1P C2P 109.8(4) . . ?
C4P C1P P1 109.0(3) . . ?
C4P C1P C2P 109.0(4) . . ?
C4P C1P C3P 110.6(4) . . ?
C3 C2 C1 106.5(5) . . ?
C3 C2 C4 111.3(6) . . ?
C3 C2 C5 109.7(6) . . ?
C4 C2 C1 110.5(5) . . ?
C4 C2 C5 109.3(6) . . ?
C5 C2 C1 109.6(5) . . ?
C6P C5P P2 106.5(3) . . ?
C7P C5P P2 109.3(3) . . ?
C7P C5P C6P 109.2(4) . . ?
C8P C5P P2 110.0(3) . . ?
C8P C5P C6P 111.1(4) . . ?
C8P C5P C7P 110.7(4) . . ?
O38 C6 O42 124.3(5) . . ?
O38 C6 C7 117.4(5) . . ?
O42 C6 C7 118.2(5) . . ?
C6 C7 C8 106.2(4) . . ?
C6 C7 C10 110.2(4) . . ?
C9 C7 C6 111.8(5) . . ?
C9 C7 C8 109.2(4) . . ?
C9 C7 C10 109.3(5) . . ?
C10 C7 C8 110.1(5) . . ?
C10P C9P P3 107.8(3) . . ?
C10P C9P C11P 108.7(4) . . ?
C11P C9P P3 108.4(3) . . ?
C12P C9P P3 111.4(4) . . ?
C12P C9P C10P 110.6(4) . . ?
C12P C9P C11P 109.9(4) . . ?
C14P C13P P30 108.4(5) . . ?
C14P C13P C16P 109.1(7) . . ?
C15P C13P P30 108.7(5) . . ?
C15P C13P C14P 111.6(6) . . ?
C15P C13P C16P 108.9(6) . . ?
C16P C13P P30 110.0(4) . . ?
C23 N8 C19 121.8(5) . . ?
N8 C19 C20 120.2(5) . . ?
C19 C20 C21 119.6(5) . . ?
C20 C21 C22 118.9(5) . . ?
C23 C22 C21 119.6(5) . . ?
N8 C23 C22 119.9(5) . . ?
C15 N7 C11 122.8(6) . . ?
N7 C11 C12 118.3(7) . . ?
C13 C12 C11 119.4(7) . . ?
C12 C13 C14 121.3(7) . . ?
C13 C14 C15 119.5(8) . . ?
N7 C15 C14 118.6(7) . . ?
C24 N10 C28 122.3(5) . . ?
N10 C24 C25 120.1(6) . . ?
C24 C25 C26 119.5(6) . . ?
C25 C26 C27 120.0(5) . . ?
C26 C27 C28 118.4(5) . . ?
N10 C28 C27 119.7(5) . . ?
C18 N9 C18 119.8(14) . 2_655 ?
C17 C16 C17 122.3(15) 2_655 . ?
C18 C17 C16 118.6(10) . . ?
C17 C18 N9 120.3(10) . . ?

_olex2_submission_special_instructions 'No special instructions were received'





_database_code_depnum_ccdc_archive 'CCDC 1021473'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_Tb4P4
_audit_creation_date             2014-08-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H56 N6 O35 P4 Tb4, 4(C5 H6 N), C5 H5 N'
_chemical_formula_sum            'C51 H85 N11 O35 P4 Tb4'
_chemical_formula_weight         2129.79
_chemical_melting_point          ?
_chemical_oxdiff_formula         Gd8P6C100H150O60
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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'

_cell_length_a                   44.8792(6)
_cell_length_b                   19.1254(3)
_cell_length_c                   24.0145(3)
_cell_angle_alpha                90
_cell_angle_beta                 91.0749(14)
_cell_angle_gamma                90
_cell_volume                     20608.8(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    14751
_cell_measurement_temperature    150.04(13)
_cell_measurement_theta_max      28.3310
_cell_measurement_theta_min      3.2810
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.841
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69103
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             8356
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_unetI/netI     0.0714
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_h_min       -56
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            56487
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.004
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.04(13)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0714
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -12.00   93.00   0.7500   23.0000
omega____ theta____ kappa____ phi______ frames
    -       20.8673   77.0000  -90.0000 140

#__ type_ start__ end____ width___ exp.time_
  2 omega  -12.00   93.00   0.7500   23.0000
omega____ theta____ kappa____ phi______ frames
    -       20.8673   77.0000   30.0000 140

#__ type_ start__ end____ width___ exp.time_
  3 omega  -12.00   93.00   0.7500   23.0000
omega____ theta____ kappa____ phi______ frames
    -       20.8673   77.0000  150.0000 140
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0149590000
_diffrn_orient_matrix_UB_12      -0.0089273000
_diffrn_orient_matrix_UB_13      0.0057961000
_diffrn_orient_matrix_UB_21      0.0048915000
_diffrn_orient_matrix_UB_22      -0.0321804000
_diffrn_orient_matrix_UB_23      0.0116999000
_diffrn_orient_matrix_UB_31      0.0014578000
_diffrn_orient_matrix_UB_32      0.0161562000
_diffrn_orient_matrix_UB_33      0.0264931000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15215
_reflns_number_total             20951
_reflns_odcompleteness_completeness 99.56
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48)'
_computing_data_collection       
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48)'
_computing_data_reduction        
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.019
_refine_diff_density_min         -0.790
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     938
_refine_ls_number_reflns         20951
_refine_ls_number_restraints     90
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0389
_refine_ls_restrained_S_all      0.995
_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)+(0.0385P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0846
_refine_ls_wR_factor_ref         0.0951
_refine_special_details          
;
Big solvent Voids are obtained during the first 
modelling of the data, due to non-localised solvent molecules. 
In order to get an idea of how many solvent molecules occupies the 
empty space, a SQUEZZE procedure was performed. A total of 1043 
electron counts were found, which were attributed to a total of 
25 molecules of isobutanol (42 electron counts per molecule). 
These molecules have been added to the molecular formula in the cif file
and not to the _chemical_formula_sum.

__chemical_formula_moiety          'C26 H56 N6 O35 P4 Tb4, 4(C5 H6 N), 25(C5 H5 N)'
_chemical_formula_sum             'C171 H205 N35 O35 P4 Tb4'
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.24029(2) 0.11681(2) 0.29964(2) 0.02237(7) Uani 1 1 d . . . . .
Tb2 Tb 0.12994(2) 0.24686(2) 0.30798(2) 0.02536(7) Uani 1 1 d . . . . .
Tb3 Tb 0.11968(2) 0.05155(2) 0.28096(2) 0.02486(7) Uani 1 1 d . . . . .
Tb4 Tb 0.14109(2) 0.17068(2) 0.16092(2) 0.02806(7) Uani 1 1 d . . . . .
P1 P 0.19256(3) 0.26408(7) 0.26127(6) 0.0239(3) Uani 1 1 d . . . . .
P2 P 0.18793(3) 0.05724(7) 0.19065(6) 0.0251(3) Uani 1 1 d . . . . .
P3 P 0.16873(3) 0.08601(7) 0.36644(5) 0.0220(3) Uani 1 1 d . . . . .
P4 P 0.09596(4) 0.31873(9) 0.18553(8) 0.0477(4) Uani 1 1 d . . . . .
O1N O 0.24663(8) 0.20036(18) 0.38211(16) 0.0349(9) Uani 1 1 d . . . . .
O1O O 0.08627(7) 0.20931(19) 0.34805(16) 0.0347(9) Uani 1 1 d . . . . .
O1OH O 0.11240(7) 0.16243(16) 0.24275(14) 0.0260(8) Uani 1 1 d . . . . .
O1P O 0.21770(7) 0.21370(17) 0.27020(15) 0.0320(9) Uani 1 1 d . . . . .
O2N O 0.28214(8) 0.20004(19) 0.32334(16) 0.0370(9) Uani 1 1 d . . . . .
O2O O 0.08163(8) 0.09370(19) 0.33621(15) 0.0349(9) Uani 1 1 d . . . . .
O2P O 0.17887(8) 0.29026(18) 0.31590(14) 0.0310(9) Uani 1 1 d . . . . .
O3N O 0.28441(11) 0.2691(2) 0.3949(2) 0.0662(14) Uani 1 1 d . . . . .
O3O O 0.08754(8) 0.02943(19) 0.20523(16) 0.0371(9) Uani 1 1 d . . . . .
O3P O 0.16552(7) 0.23263(17) 0.22972(14) 0.0265(8) Uani 1 1 d . . . . .
O4N O 0.24167(8) -0.01136(18) 0.33213(17) 0.0377(10) Uani 1 1 d . . . . .
O4O O 0.10492(8) 0.0914(2) 0.13494(15) 0.0384(10) Uani 1 1 d . . . . .
O4P O 0.21393(7) 0.06251(18) 0.23015(15) 0.0312(9) Uani 1 1 d . . . . .
O5N O 0.26899(9) 0.06245(19) 0.37778(16) 0.0419(10) Uani 1 1 d . . . . .
O5P O 0.18732(7) 0.11405(17) 0.14435(14) 0.0291(8) Uani 1 1 d . . . . .
O6N O 0.26481(14) -0.0439(2) 0.40708(18) 0.0830(19) Uani 1 1 d . . . . .
O6P O 0.15721(7) 0.06635(16) 0.21758(13) 0.0241(8) Uani 1 1 d . . . . .
O7N O 0.28358(9) 0.05324(19) 0.25783(18) 0.0432(11) Uani 1 1 d . . . . .
O7P O 0.20071(7) 0.09813(17) 0.35299(14) 0.0266(8) Uani 1 1 d . . . . .
O8N O 0.26960(8) 0.14540(18) 0.21242(15) 0.0345(9) Uani 1 1 d . . . . .
O8P O 0.15652(7) 0.01528(17) 0.34586(14) 0.0289(8) Uani 1 1 d . . . . .
O9N O 0.30280(10) 0.0770(2) 0.1770(2) 0.0626(14) Uani 1 1 d . . . . .
O9P O 0.14714(7) 0.13914(16) 0.33911(14) 0.0234(8) Uani 1 1 d . . . . .
O10N O 0.13630(9) 0.2749(2) 0.40996(16) 0.0412(10) Uani 1 1 d . . . . .
O10P O 0.10888(9) 0.2615(2) 0.14986(16) 0.0443(11) Uani 1 1 d . . . . .
O11N O 0.11870(10) 0.3562(2) 0.3579(2) 0.0555(12) Uani 1 1 d . . . . .
O11P O 0.10358(10) 0.3928(2) 0.1606(2) 0.0692(15) Uani 1 1 d . . . . .
O12N O 0.12376(16) 0.3737(3) 0.4470(2) 0.115(2) Uani 1 1 d . . . . .
O12P O 0.10600(8) 0.31771(19) 0.24551(16) 0.0402(10) Uani 1 1 d . . . . .
O13N O 0.12568(8) -0.07596(19) 0.25535(17) 0.0403(10) Uani 1 1 d . . . . .
O14N O 0.09182(9) -0.0512(2) 0.31551(17) 0.0413(10) Uani 1 1 d . . . . .
O15N O 0.09383(10) -0.1563(2) 0.2803(2) 0.0663(15) Uani 1 1 d . . . . .
O16N O 0.14006(10) 0.1675(2) 0.05690(17) 0.0556(12) Uani 1 1 d . . . . .
O17N O 0.16731(9) 0.2497(2) 0.09296(18) 0.0464(11) Uani 1 1 d . . . . .
O18N O 0.16267(11) 0.2406(3) 0.00235(19) 0.0719(15) Uani 1 1 d . . . . .
N1 N 0.27145(11) 0.2244(2) 0.3678(2) 0.0387(12) Uani 1 1 d . . . . .
N2 N 0.25862(13) 0.0011(2) 0.3732(2) 0.0425(13) Uani 1 1 d . . . . .
N3 N 0.28581(11) 0.0914(3) 0.2150(2) 0.0397(12) Uani 1 1 d . . . . .
N4 N 0.12596(13) 0.3364(3) 0.4065(3) 0.0575(16) Uani 1 1 d . . . . .
N5 N 0.10332(11) -0.0966(3) 0.2835(2) 0.0444(13) Uani 1 1 d . . . . .
N6 N 0.15644(13) 0.2203(3) 0.0494(2) 0.0498(14) Uani 1 1 d . . . . .
C1 C 0.07441(12) 0.1509(3) 0.3583(2) 0.0338(13) Uani 1 1 d . . . . .
C1P C 0.20714(11) 0.3377(3) 0.2231(2) 0.0259(12) Uani 1 1 d . . . . .
C2 C 0.04921(13) 0.1494(3) 0.4011(3) 0.0416(15) Uani 1 1 d . . . . .
C2P C 0.23055(12) 0.3737(3) 0.2610(2) 0.0408(15) Uani 1 1 d . . . . .
H2PA H 0.2209 0.3948 0.2921 0.061 Uiso 1 1 calc GR . . . .
H2PB H 0.2407 0.4091 0.2402 0.061 Uiso 1 1 calc GR . . . .
H2PC H 0.2447 0.3398 0.2743 0.061 Uiso 1 1 calc GR . . . .
C3 C 0.04226(13) 0.0752(3) 0.4200(3) 0.0510(18) Uani 1 1 d . . . . .
H3A H 0.0345 0.0487 0.3891 0.077 Uiso 1 1 calc GR . . . .
H3B H 0.0277 0.0767 0.4489 0.077 Uiso 1 1 calc GR . . . .
H3C H 0.0602 0.0535 0.4341 0.077 Uiso 1 1 calc GR . . . .
C3P C 0.18230(13) 0.3887(3) 0.2066(3) 0.0491(17) Uani 1 1 d . . . . .
H3PA H 0.1677 0.3650 0.1839 0.074 Uiso 1 1 calc GR . . . .
H3PB H 0.1906 0.4269 0.1860 0.074 Uiso 1 1 calc GR . . . .
H3PC H 0.1731 0.4064 0.2395 0.074 Uiso 1 1 calc GR . . . .
C4 C 0.02221(13) 0.1820(4) 0.3712(3) 0.058(2) Uani 1 1 d . . . . .
H4A H 0.0268 0.2292 0.3609 0.086 Uiso 1 1 calc GR . . . .
H4B H 0.0055 0.1819 0.3957 0.086 Uiso 1 1 calc GR . . . .
H4C H 0.0173 0.1553 0.3384 0.086 Uiso 1 1 calc GR . . . .
C4P C 0.22245(13) 0.3102(3) 0.1719(2) 0.0431(16) Uani 1 1 d . . . . .
H4PA H 0.2369 0.2755 0.1827 0.065 Uiso 1 1 calc GR . . . .
H4PB H 0.2322 0.3480 0.1533 0.065 Uiso 1 1 calc GR . . . .
H4PC H 0.2079 0.2895 0.1471 0.065 Uiso 1 1 calc GR . . . .
C5 C 0.05852(15) 0.1938(4) 0.4524(3) 0.069(2) Uani 1 1 d . . . . .
H5A H 0.0751 0.1720 0.4713 0.103 Uiso 1 1 calc GR . . . .
H5B H 0.0421 0.1973 0.4773 0.103 Uiso 1 1 calc GR . . . .
H5C H 0.0642 0.2398 0.4405 0.103 Uiso 1 1 calc GR . . . .
C5P C 0.18981(11) -0.0278(3) 0.1570(2) 0.0283(12) Uani 1 1 d . . . . .
C6 C 0.08859(11) 0.0450(3) 0.1548(2) 0.0308(13) Uani 1 1 d . . . . .
C6P C 0.21785(12) -0.0302(3) 0.1207(2) 0.0374(14) Uani 1 1 d . . . . .
H6PA H 0.2162 0.0044 0.0918 0.056 Uiso 1 1 calc GR . . . .
H6PB H 0.2196 -0.0757 0.1042 0.056 Uiso 1 1 calc GR . . . .
H6PC H 0.2352 -0.0207 0.1434 0.056 Uiso 1 1 calc GR . . . .
C7 C 0.06837(13) 0.0052(3) 0.1137(3) 0.0434(16) Uani 1 1 d . . . . .
C7P C 0.16146(12) -0.0395(3) 0.1207(2) 0.0352(14) Uani 1 1 d . . . . .
H7PA H 0.1446 -0.0457 0.1443 0.053 Uiso 1 1 calc GR . . . .
H7PB H 0.1639 -0.0804 0.0981 0.053 Uiso 1 1 calc GR . . . .
H7PC H 0.1582 0.0004 0.0971 0.053 Uiso 1 1 calc GR . . . .
C8 C 0.08353(18) -0.0037(6) 0.0587(3) 0.115(4) Uani 1 1 d . . . . .
H8A H 0.0908 0.0408 0.0463 0.173 Uiso 1 1 calc GR . . . .
H8B H 0.0695 -0.0219 0.0317 0.173 Uiso 1 1 calc GR . . . .
H8C H 0.0999 -0.0356 0.0631 0.173 Uiso 1 1 calc GR . . . .
C8P C 0.19267(12) -0.0841(3) 0.2019(2) 0.0366(14) Uani 1 1 d . . . . .
H8PA H 0.2103 -0.0756 0.2242 0.055 Uiso 1 1 calc GR . . . .
H8PB H 0.1941 -0.1292 0.1846 0.055 Uiso 1 1 calc GR . . . .
H8PC H 0.1755 -0.0828 0.2250 0.055 Uiso 1 1 calc GR . . . .
C9 C 0.04036(16) 0.0453(5) 0.1067(4) 0.107(4) Uani 1 1 d . . . . .
H9A H 0.0297 0.0446 0.1410 0.160 Uiso 1 1 calc GR . . . .
H9B H 0.0283 0.0245 0.0777 0.160 Uiso 1 1 calc GR . . . .
H9C H 0.0449 0.0927 0.0969 0.160 Uiso 1 1 calc GR . . . .
C9P C 0.16623(12) 0.0874(3) 0.4418(2) 0.0291(12) Uani 1 1 d . . . . .
C10P C 0.18135(14) 0.0209(3) 0.4640(2) 0.0463(16) Uani 1 1 d . . . . .
H10A H 0.1702 -0.0193 0.4519 0.069 Uiso 1 1 calc GR . . . .
H10B H 0.1821 0.0223 0.5040 0.069 Uiso 1 1 calc GR . . . .
H10C H 0.2012 0.0181 0.4500 0.069 Uiso 1 1 calc GR . . . .
C11P C 0.13382(12) 0.0898(3) 0.4593(2) 0.0450(16) Uani 1 1 d . . . . .
H11A H 0.1250 0.1332 0.4473 0.068 Uiso 1 1 calc GR . . . .
H11B H 0.1329 0.0863 0.4991 0.068 Uiso 1 1 calc GR . . . .
H11C H 0.1231 0.0516 0.4425 0.068 Uiso 1 1 calc GR . . . .
C12P C 0.18283(12) 0.1521(3) 0.4653(2) 0.0355(14) Uani 1 1 d . . . . .
H12A H 0.2034 0.1501 0.4551 0.053 Uiso 1 1 calc GR . . . .
H12B H 0.1815 0.1526 0.5052 0.053 Uiso 1 1 calc GR . . . .
H12C H 0.1739 0.1939 0.4503 0.053 Uiso 1 1 calc GR . . . .
C13P C 0.05621(14) 0.3144(4) 0.1819(3) 0.0543(18) Uani 1 1 d . . . . .
C14P C 0.04563(15) 0.2444(4) 0.2091(4) 0.079(3) Uani 1 1 d . . . . .
H14A H 0.0526 0.2056 0.1876 0.118 Uiso 1 1 calc GR . . . .
H14B H 0.0243 0.2436 0.2099 0.118 Uiso 1 1 calc GR . . . .
H14C H 0.0536 0.2412 0.2464 0.118 Uiso 1 1 calc GR . . . .
C15 C 0.0621(2) -0.0692(5) 0.1380(4) 0.127(4) Uani 1 1 d . . . . .
H15A H 0.0807 -0.0917 0.1474 0.191 Uiso 1 1 calc GR . . . .
H15B H 0.0515 -0.0967 0.1107 0.191 Uiso 1 1 calc GR . . . .
H15C H 0.0504 -0.0649 0.1708 0.191 Uiso 1 1 calc GR . . . .
C15P C 0.04529(17) 0.3170(5) 0.1209(3) 0.089(3) Uani 1 1 d . . . . .
H15D H 0.0511 0.3606 0.1046 0.134 Uiso 1 1 calc GR . . . .
H15E H 0.0240 0.3128 0.1194 0.134 Uiso 1 1 calc GR . . . .
H15F H 0.0540 0.2791 0.1006 0.134 Uiso 1 1 calc GR . . . .
C16P C 0.04322(18) 0.3748(5) 0.2162(4) 0.102(3) Uani 1 1 d . . . . .
H16A H 0.0482 0.3680 0.2549 0.154 Uiso 1 1 calc GR . . . .
H16B H 0.0219 0.3756 0.2114 0.154 Uiso 1 1 calc GR . . . .
H16C H 0.0514 0.4183 0.2038 0.154 Uiso 1 1 calc GR . . . .
N9 N 0.16891(12) -0.1164(2) 0.3562(2) 0.0423(13) Uani 1 1 d . . . . .
H9 H 0.1679 -0.0716 0.3583 0.051 Uiso 1 1 calc R . . . .
C23 C 0.19189(15) -0.1453(3) 0.3323(3) 0.0493(17) Uani 1 1 d . . . . .
H23 H 0.2072 -0.1173 0.3191 0.059 Uiso 1 1 calc R . . . .
C24 C 0.19357(16) -0.2174(3) 0.3265(3) 0.0572(19) Uani 1 1 d . . . . .
H24 H 0.2096 -0.2381 0.3088 0.069 Uiso 1 1 calc R . . . .
C25 C 0.17156(17) -0.2564(3) 0.3472(3) 0.060(2) Uani 1 1 d . . . . .
H25 H 0.1725 -0.3048 0.3443 0.072 Uiso 1 1 calc R . . . .
C26 C 0.14802(16) -0.2266(4) 0.3722(3) 0.061(2) Uani 1 1 d . . . . .
H26 H 0.1327 -0.2541 0.3857 0.074 Uiso 1 1 calc R . . . .
C27 C 0.14703(16) -0.1545(3) 0.3773(3) 0.0540(18) Uani 1 1 d . . . . .
H27 H 0.1313 -0.1331 0.3952 0.065 Uiso 1 1 calc R . . . .
N10 N 0.20139(11) 0.3573(3) 0.4016(2) 0.0399(12) Uani 1 1 d . . . . .
H10 H 0.1958 0.3300 0.3749 0.048 Uiso 1 1 calc R . . . .
C28 C 0.21628(14) 0.3298(3) 0.4449(3) 0.0466(16) Uani 1 1 d . . . . .
H28 H 0.2205 0.2822 0.4463 0.056 Uiso 1 1 calc R . . . .
C29 C 0.22522(15) 0.3736(4) 0.4878(3) 0.0512(17) Uani 1 1 d . . . . .
H29 H 0.2353 0.3556 0.5188 0.061 Uiso 1 1 calc R . . . .
C30 C 0.21925(18) 0.4426(4) 0.4843(3) 0.067(2) Uani 1 1 d . . . . .
H30 H 0.2252 0.4730 0.5127 0.081 Uiso 1 1 calc R . . . .
C31 C 0.2041(2) 0.4671(4) 0.4378(3) 0.084(3) Uani 1 1 d . . . . .
H31 H 0.2003 0.5147 0.4344 0.101 Uiso 1 1 calc R . . . .
C32 C 0.19490(17) 0.4239(4) 0.3977(3) 0.060(2) Uani 1 1 d . . . . .
H32 H 0.1840 0.4408 0.3673 0.073 Uiso 1 1 calc R . . . .
N8 N 0.1437(3) -0.2417(6) 0.1480(7) 0.228(5) Uani 1 1 d D . . . .
C1A C 0.1166(4) -0.2298(8) 0.1692(7) 0.244(8) Uani 1 1 d D U . . .
H1A H 0.1174 -0.2101 0.2046 0.293 Uiso 1 1 calc R . . . .
C16 C 0.1407(4) -0.2551(7) 0.0899(7) 0.243(7) Uani 1 1 d D U . . .
H16 H 0.1578 -0.2591 0.0690 0.292 Uiso 1 1 calc R . . . .
C17 C 0.0860(4) -0.2573(8) 0.0933(8) 0.219(6) Uani 1 1 d D U . . .
H17 H 0.0678 -0.2650 0.0751 0.263 Uiso 1 1 calc R . . . .
C18 C 0.0873(4) -0.2410(7) 0.1487(8) 0.213(6) Uani 1 1 d D U . . .
H18 H 0.0706 -0.2376 0.1708 0.256 Uiso 1 1 calc R . . . .
C19 C 0.1138(4) -0.2622(7) 0.0635(6) 0.212(6) Uani 1 1 d D U . . .
H19 H 0.1132 -0.2705 0.0253 0.254 Uiso 1 1 calc R . . . .
N11 N 0.22747(12) 0.1445(2) 0.0713(2) 0.0406(12) Uani 1 1 d . . . . .
H11 H 0.2151 0.1379 0.0977 0.049 Uiso 1 1 calc R . . . .
C10 C 0.25564(14) 0.1604(3) 0.0844(2) 0.0410(15) Uani 1 1 d . . . . .
H10D H 0.2617 0.1642 0.1215 0.049 Uiso 1 1 calc R . . . .
C11 C 0.27541(14) 0.1712(3) 0.0431(3) 0.0427(15) Uani 1 1 d . . . . .
H11D H 0.2952 0.1821 0.0516 0.051 Uiso 1 1 calc R . . . .
C12 C 0.26592(15) 0.1657(3) -0.0114(2) 0.0457(16) Uani 1 1 d . . . . .
H12 H 0.2792 0.1731 -0.0401 0.055 Uiso 1 1 calc R . . . .
C13 C 0.23687(17) 0.1494(3) -0.0231(3) 0.0554(18) Uani 1 1 d . . . . .
H13 H 0.2302 0.1459 -0.0599 0.067 Uiso 1 1 calc R . . . .
C14 C 0.21788(15) 0.1384(3) 0.0189(3) 0.0488(17) Uani 1 1 d . . . . .
H14 H 0.1981 0.1266 0.0111 0.059 Uiso 1 1 calc R . . . .
N1B N 0.0000 -0.1151(8) 0.2500 0.140(5) Uani 1 2 d S T P . .
H1B H 0.0000 -0.1601 0.2500 0.168 Uiso 1 2 calc RS T P . .
C20 C 0.02239(19) -0.0824(7) 0.2756(4) 0.101(3) Uani 1 1 d . . . . .
H20 H 0.0376 -0.1076 0.2932 0.121 Uiso 1 1 calc R . . . .
C21 C 0.02284(19) -0.0142(7) 0.2758(4) 0.095(3) Uani 1 1 d . . . . .
H21 H 0.0383 0.0105 0.2930 0.114 Uiso 1 1 calc R . . . .
C22 C 0.0000 0.0191(9) 0.2500 0.109(5) Uani 1 2 d S T P . .
H22 H 0.0000 0.0678 0.2500 0.130 Uiso 1 2 calc RS T P . .


_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
Tb1 O1N 2.557(4) . ?
Tb1 O1P 2.222(3) . ?
Tb1 O2N 2.519(4) . ?
Tb1 O4N 2.573(4) . ?
Tb1 O4P 2.278(3) . ?
Tb1 O5N 2.484(4) . ?
Tb1 O7N 2.517(4) . ?
Tb1 O7P 2.238(3) . ?
Tb1 O8N 2.553(4) . ?
Tb1 N2 2.939(5) . ?
Tb1 N3 2.949(5) . ?
Tb2 Tb3 3.8176(3) . ?
Tb2 Tb4 3.8616(4) . ?
Tb2 P1 3.0634(13) . ?
Tb2 O1O 2.314(3) . ?
Tb2 O1OH 2.374(3) . ?
Tb2 O2P 2.352(3) . ?
Tb2 O3P 2.504(3) . ?
Tb2 O9P 2.319(3) . ?
Tb2 O10N 2.518(4) . ?
Tb2 O11N 2.467(4) . ?
Tb2 O12P 2.276(4) . ?
Tb2 N4 2.929(5) . ?
Tb3 Tb4 3.8116(4) . ?
Tb3 P3 3.0534(13) . ?
Tb3 O1OH 2.331(3) . ?
Tb3 O2O 2.326(4) . ?
Tb3 O3O 2.339(4) . ?
Tb3 O6P 2.309(3) . ?
Tb3 O8P 2.355(3) . ?
Tb3 O9P 2.492(3) . ?
Tb3 O13N 2.531(4) . ?
Tb3 O14N 2.481(4) . ?
Tb3 N5 2.928(5) . ?
Tb4 P2 3.0952(14) . ?
Tb4 O1OH 2.375(3) . ?
Tb4 O3P 2.295(3) . ?
Tb4 O4O 2.298(4) . ?
Tb4 O5P 2.380(3) . ?
Tb4 O6P 2.514(3) . ?
Tb4 O10P 2.272(4) . ?
Tb4 O16N 2.498(4) . ?
Tb4 O17N 2.530(4) . ?
Tb4 N6 2.935(5) . ?
P1 O1P 1.496(4) . ?
P1 O2P 1.543(4) . ?
P1 O3P 1.541(4) . ?
P1 C1P 1.808(5) . ?
P2 O4P 1.493(4) . ?
P2 O5P 1.555(4) . ?
P2 O6P 1.544(3) . ?
P2 C5P 1.819(5) . ?
P3 O7P 1.495(3) . ?
P3 O8P 1.538(3) . ?
P3 O9P 1.542(3) . ?
P3 C9P 1.815(5) . ?
P4 O10P 1.513(4) . ?
P4 O11P 1.578(5) . ?
P4 O12P 1.501(4) . ?
P4 C13P 1.786(7) . ?
O1N N1 1.259(6) . ?
O1O C1 1.264(6) . ?
O2N N1 1.267(6) . ?
O2O C1 1.260(6) . ?
O3N N1 1.217(6) . ?
O3O C6 1.249(6) . ?
O4N N2 1.256(6) . ?
O4O C6 1.252(6) . ?
O5N N2 1.266(6) . ?
O6N N2 1.214(6) . ?
O7N N3 1.266(6) . ?
O8N N3 1.264(6) . ?
O9N N3 1.232(6) . ?
O10N N4 1.266(6) . ?
O11N N4 1.264(7) . ?
O12N N4 1.211(7) . ?
O13N N5 1.282(6) . ?
O14N N5 1.276(6) . ?
O15N N5 1.221(6) . ?
O16N N6 1.264(6) . ?
O17N N6 1.276(6) . ?
O18N N6 1.232(6) . ?
C1 C2 1.542(8) . ?
C1P C2P 1.540(7) . ?
C1P C3P 1.529(7) . ?
C1P C4P 1.516(7) . ?
C2 C3 1.524(8) . ?
C2 C4 1.529(8) . ?
C2 C5 1.549(9) . ?
C5P C6P 1.545(7) . ?
C5P C7P 1.544(7) . ?
C5P C8P 1.527(7) . ?
C6 C7 1.531(7) . ?
C7 C8 1.506(9) . ?
C7 C9 1.480(9) . ?
C7 C15 1.565(10) . ?
C9P C10P 1.533(7) . ?
C9P C11P 1.522(7) . ?
C9P C12P 1.547(7) . ?
C13P C14P 1.566(9) . ?
C13P C15P 1.537(10) . ?
C13P C16P 1.539(10) . ?
N9 C23 1.312(7) . ?
N9 C27 1.331(7) . ?
C23 C24 1.387(8) . ?
C24 C25 1.341(9) . ?
C25 C26 1.351(9) . ?
C26 C27 1.384(9) . ?
N10 C28 1.335(7) . ?
N10 C32 1.310(7) . ?
C28 C29 1.381(8) . ?
C29 C30 1.349(9) . ?
C30 C31 1.379(10) . ?
C31 C32 1.327(9) . ?
N8 C1A 1.345(11) . ?
N8 C16 1.424(10) . ?
C1A C18 1.411(12) . ?
C16 C19 1.358(10) . ?
C17 C18 1.369(12) . ?
C17 C19 1.453(11) . ?
N11 C10 1.333(7) . ?
N11 C14 1.328(8) . ?
C10 C11 1.360(8) . ?
C11 C12 1.373(8) . ?
C12 C13 1.365(9) . ?
C13 C14 1.349(8) . ?
N1B C20 1.325(11) . ?
N1B C20 1.325(11) 2 ?
C20 C21 1.304(13) . ?
C21 C22 1.348(11) . ?
C22 C21 1.347(11) 2 ?

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
O1N Tb1 O4N 111.03(12) . . ?
O1N Tb1 N2 88.83(13) . . ?
O1N Tb1 N3 124.64(12) . . ?
O1P Tb1 O1N 76.62(13) . . ?
O1P Tb1 O2N 83.03(12) . . ?
O1P Tb1 O4N 154.09(12) . . ?
O1P Tb1 O4P 85.38(13) . . ?
O1P Tb1 O5N 144.74(13) . . ?
O1P Tb1 O7N 128.84(12) . . ?
O1P Tb1 O7P 87.30(12) . . ?
O1P Tb1 O8N 78.43(12) . . ?
O1P Tb1 N2 160.10(13) . . ?
O1P Tb1 N3 103.66(14) . . ?
O2N Tb1 O1N 50.07(11) . . ?
O2N Tb1 O4N 121.33(13) . . ?
O2N Tb1 O8N 69.92(12) . . ?
O2N Tb1 N2 98.10(14) . . ?
O2N Tb1 N3 74.74(12) . . ?
O4N Tb1 N2 25.24(12) . . ?
O4N Tb1 N3 92.23(13) . . ?
O4P Tb1 O1N 154.32(12) . . ?
O4P Tb1 O2N 145.94(12) . . ?
O4P Tb1 O4N 78.29(13) . . ?
O4P Tb1 O5N 128.13(12) . . ?
O4P Tb1 O7N 83.21(13) . . ?
O4P Tb1 O8N 76.42(12) . . ?
O4P Tb1 N2 103.45(14) . . ?
O4P Tb1 N3 77.11(13) . . ?
O5N Tb1 O1N 68.15(12) . . ?
O5N Tb1 O2N 73.73(13) . . ?
O5N Tb1 O4N 50.43(12) . . ?
O5N Tb1 O7N 72.90(13) . . ?
O5N Tb1 O8N 116.20(13) . . ?
O5N Tb1 N2 25.27(13) . . ?
O5N Tb1 N3 95.49(14) . . ?
O7N Tb1 O1N 122.37(13) . . ?
O7N Tb1 O2N 79.49(13) . . ?
O7N Tb1 O4N 69.29(12) . . ?
O7N Tb1 O8N 50.41(12) . . ?
O7N Tb1 N2 70.51(13) . . ?
O7N Tb1 N3 25.24(12) . . ?
O7P Tb1 O1N 74.60(12) . . ?
O7P Tb1 O2N 124.60(12) . . ?
O7P Tb1 O4N 71.89(12) . . ?
O7P Tb1 O4P 86.54(12) . . ?
O7P Tb1 O5N 84.65(13) . . ?
O7P Tb1 O7N 141.09(12) . . ?
O7P Tb1 O8N 158.48(12) . . ?
O7P Tb1 N2 75.66(13) . . ?
O7P Tb1 N3 159.34(12) . . ?
O8N Tb1 O1N 116.74(12) . . ?
O8N Tb1 O4N 116.30(11) . . ?
O8N Tb1 N2 120.75(13) . . ?
O8N Tb1 N3 25.28(12) . . ?
N2 Tb1 N3 95.75(14) . . ?
Tb3 Tb2 Tb4 59.515(7) . . ?
P1 Tb2 Tb3 98.71(3) . . ?
P1 Tb2 Tb4 64.54(3) . . ?
O1O Tb2 Tb3 70.53(9) . . ?
O1O Tb2 Tb4 112.87(9) . . ?
O1O Tb2 P1 167.36(9) . . ?
O1O Tb2 O1OH 77.90(12) . . ?
O1O Tb2 O2P 150.78(13) . . ?
O1O Tb2 O3P 146.68(12) . . ?
O1O Tb2 O9P 82.50(12) . . ?
O1O Tb2 O10N 75.11(13) . . ?
O1O Tb2 O11N 83.01(14) . . ?
O1O Tb2 N4 77.32(15) . . ?
O1OH Tb2 Tb3 35.40(8) . . ?
O1OH Tb2 Tb4 35.59(8) . . ?
O1OH Tb2 P1 97.27(8) . . ?
O1OH Tb2 O3P 68.84(11) . . ?
O1OH Tb2 O10N 144.77(12) . . ?
O1OH Tb2 O11N 146.00(13) . . ?
O1OH Tb2 N4 155.01(14) . . ?
O2P Tb2 Tb3 117.94(8) . . ?
O2P Tb2 Tb4 94.03(8) . . ?
O2P Tb2 P1 29.54(9) . . ?
O2P Tb2 O1OH 126.23(11) . . ?
O2P Tb2 O3P 59.43(11) . . ?
O2P Tb2 O10N 75.97(12) . . ?
O2P Tb2 O11N 81.99(14) . . ?
O2P Tb2 N4 78.42(14) . . ?
O3P Tb2 Tb3 80.95(7) . . ?
O3P Tb2 Tb4 34.62(8) . . ?
O3P Tb2 P1 30.04(8) . . ?
O3P Tb2 O10N 133.70(12) . . ?
O3P Tb2 N4 136.00(14) . . ?
O9P Tb2 Tb3 39.09(8) . . ?
O9P Tb2 Tb4 84.93(8) . . ?
O9P Tb2 P1 84.92(8) . . ?
O9P Tb2 O1OH 73.30(11) . . ?
O9P Tb2 O2P 89.02(12) . . ?
O9P Tb2 O3P 86.11(11) . . ?
O9P Tb2 O10N 81.06(12) . . ?
O9P Tb2 O11N 131.76(14) . . ?
O9P Tb2 N4 106.49(15) . . ?
O10N Tb2 Tb3 112.62(9) . . ?
O10N Tb2 Tb4 162.85(9) . . ?
O10N Tb2 P1 104.19(9) . . ?
O10N Tb2 N4 25.48(14) . . ?
O11N Tb2 Tb3 152.46(11) . . ?
O11N Tb2 Tb4 142.70(11) . . ?
O11N Tb2 P1 106.51(11) . . ?
O11N Tb2 O3P 126.59(13) . . ?
O11N Tb2 O10N 50.75(14) . . ?
O11N Tb2 N4 25.29(14) . . ?
O12P Tb2 Tb3 114.62(10) . . ?
O12P Tb2 Tb4 71.92(10) . . ?
O12P Tb2 P1 96.87(10) . . ?
O12P Tb2 O1O 93.78(13) . . ?
O12P Tb2 O1OH 79.84(13) . . ?
O12P Tb2 O2P 105.76(13) . . ?
O12P Tb2 O3P 82.52(12) . . ?
O12P Tb2 O9P 153.07(13) . . ?
O12P Tb2 O10N 123.90(13) . . ?
O12P Tb2 O11N 73.59(15) . . ?
O12P Tb2 N4 98.59(16) . . ?
N4 Tb2 Tb3 134.45(12) . . ?
N4 Tb2 Tb4 166.01(12) . . ?
N4 Tb2 P1 107.65(12) . . ?
Tb4 Tb3 Tb2 60.816(7) . . ?
P3 Tb3 Tb2 65.89(2) . . ?
P3 Tb3 Tb4 100.99(2) . . ?
O1OH Tb3 Tb2 36.14(8) . . ?
O1OH Tb3 Tb4 36.29(8) . . ?
O1OH Tb3 P3 99.34(8) . . ?
O1OH Tb3 O3O 77.21(12) . . ?
O1OH Tb3 O8P 128.31(11) . . ?
O1OH Tb3 O9P 70.92(11) . . ?
O1OH Tb3 O13N 142.72(12) . . ?
O1OH Tb3 O14N 141.68(12) . . ?
O1OH Tb3 N5 148.76(13) . . ?
O2O Tb3 Tb2 69.60(9) . . ?
O2O Tb3 Tb4 114.99(9) . . ?
O2O Tb3 P3 93.98(9) . . ?
O2O Tb3 O1OH 79.07(12) . . ?
O2O Tb3 O3O 93.30(13) . . ?
O2O Tb3 O8P 103.79(12) . . ?
O2O Tb3 O9P 78.93(11) . . ?
O2O Tb3 O13N 123.72(12) . . ?
O2O Tb3 O14N 72.77(13) . . ?
O2O Tb3 N5 97.85(14) . . ?
O3O Tb3 Tb2 112.32(9) . . ?
O3O Tb3 Tb4 71.37(9) . . ?
O3O Tb3 P3 171.20(9) . . ?
O3O Tb3 O8P 151.21(12) . . ?
O3O Tb3 O9P 148.07(12) . . ?
O3O Tb3 O13N 72.75(13) . . ?
O3O Tb3 O14N 79.00(13) . . ?
O3O Tb3 N5 71.91(14) . . ?
O6P Tb3 Tb2 84.55(8) . . ?
O6P Tb3 Tb4 39.71(8) . . ?
O6P Tb3 P3 83.75(8) . . ?
O6P Tb3 O1OH 74.19(11) . . ?
O6P Tb3 O2O 152.38(12) . . ?
O6P Tb3 O3O 87.50(12) . . ?
O6P Tb3 O8P 87.74(12) . . ?
O6P Tb3 O9P 85.86(11) . . ?
O6P Tb3 O13N 82.86(12) . . ?
O6P Tb3 O14N 134.12(12) . . ?
O6P Tb3 N5 108.57(13) . . ?
O8P Tb3 Tb2 95.44(8) . . ?
O8P Tb3 Tb4 119.52(8) . . ?
O8P Tb3 P3 29.60(8) . . ?
O8P Tb3 O9P 59.58(10) . . ?
O8P Tb3 O13N 78.49(12) . . ?
O8P Tb3 O14N 84.10(12) . . ?
O8P Tb3 N5 82.80(12) . . ?
O9P Tb3 Tb2 35.93(7) . . ?
O9P Tb3 Tb4 83.85(7) . . ?
O9P Tb3 P3 30.19(8) . . ?
O9P Tb3 O13N 136.91(11) . . ?
O9P Tb3 N5 139.52(12) . . ?
O13N Tb3 Tb2 166.21(8) . . ?
O13N Tb3 Tb4 111.27(9) . . ?
O13N Tb3 P3 107.02(9) . . ?
O13N Tb3 N5 25.88(12) . . ?
O14N Tb3 Tb2 141.11(10) . . ?
O14N Tb3 Tb4 149.58(10) . . ?
O14N Tb3 P3 107.92(10) . . ?
O14N Tb3 O9P 126.32(12) . . ?
O14N Tb3 O13N 51.27(12) . . ?
O14N Tb3 N5 25.60(13) . . ?
N5 Tb3 Tb2 166.62(11) . . ?
N5 Tb3 Tb4 131.36(11) . . ?
N5 Tb3 P3 111.90(10) . . ?
Tb3 Tb4 Tb2 59.669(6) . . ?
P2 Tb4 Tb2 98.78(3) . . ?
P2 Tb4 Tb3 65.56(3) . . ?
O1OH Tb4 Tb2 35.57(8) . . ?
O1OH Tb4 Tb3 35.53(8) . . ?
O1OH Tb4 P2 97.99(8) . . ?
O1OH Tb4 O5P 126.58(11) . . ?
O1OH Tb4 O6P 69.78(11) . . ?
O1OH Tb4 O16N 145.65(13) . . ?
O1OH Tb4 O17N 147.06(12) . . ?
O1OH Tb4 N6 156.44(13) . . ?
O3P Tb4 Tb2 38.31(8) . . ?
O3P Tb4 Tb3 83.57(8) . . ?
O3P Tb4 P2 83.25(8) . . ?
O3P Tb4 O1OH 72.40(11) . . ?
O3P Tb4 O4O 149.45(12) . . ?
O3P Tb4 O5P 87.08(12) . . ?
O3P Tb4 O6P 83.76(11) . . ?
O3P Tb4 O16N 137.07(13) . . ?
O3P Tb4 O17N 86.23(13) . . ?
O3P Tb4 N6 111.89(15) . . ?
O4O Tb4 Tb2 113.21(9) . . ?
O4O Tb4 Tb3 67.94(9) . . ?
O4O Tb4 P2 94.21(10) . . ?
O4O Tb4 O1OH 77.87(12) . . ?
O4O Tb4 O5P 105.54(12) . . ?
O4O Tb4 O6P 79.52(12) . . ?
O4O Tb4 O16N 73.29(14) . . ?
O4O Tb4 O17N 123.59(14) . . ?
O4O Tb4 N6 98.17(16) . . ?
O5P Tb4 Tb2 116.93(8) . . ?
O5P Tb4 Tb3 95.01(8) . . ?
O5P Tb4 P2 29.46(8) . . ?
O5P Tb4 O6P 59.10(11) . . ?
O5P Tb4 O16N 79.72(14) . . ?
O5P Tb4 O17N 75.32(12) . . ?
O5P Tb4 N6 76.96(13) . . ?
O6P Tb4 Tb2 81.11(7) . . ?
O6P Tb4 Tb3 35.93(7) . . ?
O6P Tb4 P2 29.70(7) . . ?
O6P Tb4 O17N 133.66(12) . . ?
O6P Tb4 N6 132.87(13) . . ?
O10P Tb4 Tb2 74.06(10) . . ?
O10P Tb4 Tb3 112.11(10) . . ?
O10P Tb4 P2 172.18(11) . . ?
O10P Tb4 O1OH 78.10(12) . . ?
O10P Tb4 O3P 89.08(13) . . ?
O10P Tb4 O4O 91.59(14) . . ?
O10P Tb4 O5P 151.99(13) . . ?
O10P Tb4 O6P 147.79(12) . . ?
O10P Tb4 O16N 84.38(15) . . ?
O10P Tb4 O17N 76.75(14) . . ?
O10P Tb4 N6 78.81(14) . . ?
O16N Tb4 Tb2 157.43(11) . . ?
O16N Tb4 Tb3 137.84(11) . . ?
O16N Tb4 P2 102.31(11) . . ?
O16N Tb4 O6P 121.42(13) . . ?
O16N Tb4 O17N 50.95(14) . . ?
O16N Tb4 N6 25.31(14) . . ?
O17N Tb4 Tb2 115.74(10) . . ?
O17N Tb4 Tb3 166.30(10) . . ?
O17N Tb4 P2 104.19(10) . . ?
O17N Tb4 N6 25.66(14) . . ?
N6 Tb4 Tb2 138.51(12) . . ?
N6 Tb4 Tb3 161.82(12) . . ?
N6 Tb4 P2 105.49(10) . . ?
O1P P1 Tb2 124.95(14) . . ?
O1P P1 O2P 113.5(2) . . ?
O1P P1 O3P 113.8(2) . . ?
O1P P1 C1P 107.2(2) . . ?
O2P P1 Tb2 48.75(13) . . ?
O2P P1 C1P 109.4(2) . . ?
O3P P1 Tb2 54.45(13) . . ?
O3P P1 O2P 102.84(19) . . ?
O3P P1 C1P 110.1(2) . . ?
C1P P1 Tb2 127.75(17) . . ?
O4P P2 Tb4 128.20(15) . . ?
O4P P2 O5P 114.2(2) . . ?
O4P P2 O6P 114.8(2) . . ?
O4P P2 C5P 107.5(2) . . ?
O5P P2 Tb4 48.87(13) . . ?
O5P P2 C5P 107.9(2) . . ?
O6P P2 Tb4 53.80(13) . . ?
O6P P2 O5P 102.52(19) . . ?
O6P P2 C5P 109.7(2) . . ?
C5P P2 Tb4 124.14(18) . . ?
O7P P3 Tb3 124.82(14) . . ?
O7P P3 O8P 113.87(19) . . ?
O7P P3 O9P 113.82(19) . . ?
O7P P3 C9P 106.9(2) . . ?
O8P P3 Tb3 49.16(13) . . ?
O8P P3 O9P 103.04(19) . . ?
O8P P3 C9P 107.8(2) . . ?
O9P P3 Tb3 54.33(13) . . ?
O9P P3 C9P 111.4(2) . . ?
C9P P3 Tb3 128.02(17) . . ?
O10P P4 O11P 110.3(3) . . ?
O10P P4 C13P 109.4(3) . . ?
O11P P4 C13P 104.3(3) . . ?
O12P P4 O10P 115.0(2) . . ?
O12P P4 O11P 108.2(3) . . ?
O12P P4 C13P 109.1(3) . . ?
N1 O1N Tb1 95.9(3) . . ?
C1 O1O Tb2 135.9(3) . . ?
Tb2 O1OH Tb4 108.83(13) . . ?
Tb3 O1OH Tb2 108.47(13) . . ?
Tb3 O1OH Tb4 108.18(13) . . ?
P1 O1P Tb1 157.1(2) . . ?
N1 O2N Tb1 97.5(3) . . ?
C1 O2O Tb3 137.6(3) . . ?
P1 O2P Tb2 101.71(17) . . ?
C6 O3O Tb3 132.6(3) . . ?
Tb4 O3P Tb2 107.07(12) . . ?
P1 O3P Tb2 95.51(17) . . ?
P1 O3P Tb4 156.5(2) . . ?
N2 O4N Tb1 93.9(3) . . ?
C6 O4O Tb4 141.3(4) . . ?
P2 O4P Tb1 152.3(2) . . ?
N2 O5N Tb1 97.9(3) . . ?
P2 O5P Tb4 101.67(17) . . ?
Tb3 O6P Tb4 104.36(12) . . ?
P2 O6P Tb3 158.5(2) . . ?
P2 O6P Tb4 96.50(16) . . ?
N3 O7N Tb1 96.8(3) . . ?
P3 O7P Tb1 157.5(2) . . ?
N3 O8N Tb1 95.1(3) . . ?
P3 O8P Tb3 101.25(17) . . ?
Tb2 O9P Tb3 104.98(12) . . ?
P3 O9P Tb2 157.7(2) . . ?
P3 O9P Tb3 95.49(15) . . ?
N4 O10N Tb2 95.7(3) . . ?
P4 O10P Tb4 137.5(2) . . ?
N4 O11N Tb2 98.3(3) . . ?
P4 O12P Tb2 140.3(2) . . ?
N5 O13N Tb3 94.6(3) . . ?
N5 O14N Tb3 97.2(3) . . ?
N6 O16N Tb4 97.0(3) . . ?
N6 O17N Tb4 95.2(3) . . ?
O1N N1 O2N 116.6(4) . . ?
O3N N1 O1N 121.8(5) . . ?
O3N N1 O2N 121.7(5) . . ?
O4N N2 Tb1 60.9(3) . . ?
O4N N2 O5N 117.4(4) . . ?
O5N N2 Tb1 56.9(3) . . ?
O6N N2 Tb1 174.4(4) . . ?
O6N N2 O4N 121.3(5) . . ?
O6N N2 O5N 121.3(6) . . ?
O7N N3 Tb1 57.9(3) . . ?
O8N N3 Tb1 59.6(3) . . ?
O8N N3 O7N 117.2(5) . . ?
O9N N3 Tb1 173.9(4) . . ?
O9N N3 O7N 122.2(5) . . ?
O9N N3 O8N 120.6(5) . . ?
O10N N4 Tb2 58.8(3) . . ?
O11N N4 Tb2 56.4(3) . . ?
O11N N4 O10N 115.2(5) . . ?
O12N N4 Tb2 178.7(6) . . ?
O12N N4 O10N 122.1(6) . . ?
O12N N4 O11N 122.7(6) . . ?
O13N N5 Tb3 59.5(3) . . ?
O14N N5 Tb3 57.2(3) . . ?
O14N N5 O13N 115.9(5) . . ?
O15N N5 Tb3 172.5(4) . . ?
O15N N5 O13N 122.1(5) . . ?
O15N N5 O14N 122.0(5) . . ?
O16N N6 Tb4 57.7(3) . . ?
O16N N6 O17N 116.7(5) . . ?
O17N N6 Tb4 59.2(3) . . ?
O18N N6 Tb4 179.3(6) . . ?
O18N N6 O16N 121.7(6) . . ?
O18N N6 O17N 121.5(6) . . ?
O1O C1 C2 117.5(5) . . ?
O2O C1 O1O 124.9(5) . . ?
O2O C1 C2 117.5(5) . . ?
C2P C1P P1 107.4(4) . . ?
C3P C1P P1 111.1(4) . . ?
C3P C1P C2P 110.7(5) . . ?
C4P C1P P1 108.4(4) . . ?
C4P C1P C2P 108.7(4) . . ?
C4P C1P C3P 110.5(5) . . ?
C1 C2 C5 109.3(5) . . ?
C3 C2 C1 111.9(5) . . ?
C3 C2 C4 110.8(5) . . ?
C3 C2 C5 109.1(6) . . ?
C4 C2 C1 105.4(5) . . ?
C4 C2 C5 110.4(5) . . ?
C6P C5P P2 108.8(3) . . ?
C7P C5P P2 109.6(4) . . ?
C7P C5P C6P 110.4(5) . . ?
C8P C5P P2 108.7(4) . . ?
C8P C5P C6P 108.6(4) . . ?
C8P C5P C7P 110.7(4) . . ?
O3O C6 O4O 124.8(5) . . ?
O3O C6 C7 118.3(5) . . ?
O4O C6 C7 116.9(5) . . ?
C6 C7 C15 108.7(6) . . ?
C8 C7 C6 110.4(5) . . ?
C8 C7 C15 108.2(7) . . ?
C9 C7 C6 107.9(5) . . ?
C9 C7 C8 110.8(7) . . ?
C9 C7 C15 110.8(7) . . ?
C10P C9P P3 107.4(4) . . ?
C10P C9P C12P 109.3(4) . . ?
C11P C9P P3 110.6(4) . . ?
C11P C9P C10P 110.4(5) . . ?
C11P C9P C12P 109.3(5) . . ?
C12P C9P P3 109.7(4) . . ?
C14P C13P P4 109.3(4) . . ?
C15P C13P P4 110.2(5) . . ?
C15P C13P C14P 109.3(6) . . ?
C15P C13P C16P 111.6(6) . . ?
C16P C13P P4 109.1(5) . . ?
C16P C13P C14P 107.3(7) . . ?
C23 N9 C27 121.8(6) . . ?
N9 C23 C24 120.5(6) . . ?
C25 C24 C23 118.3(7) . . ?
C24 C25 C26 121.2(6) . . ?
C25 C26 C27 119.1(6) . . ?
N9 C27 C26 119.1(6) . . ?
C32 N10 C28 123.1(6) . . ?
N10 C28 C29 118.5(6) . . ?
C30 C29 C28 119.6(7) . . ?
C29 C30 C31 118.4(6) . . ?
C32 C31 C30 121.3(7) . . ?
N10 C32 C31 119.1(7) . . ?
C1A N8 C16 109.3(13) . . ?
N8 C1A C18 133.2(15) . . ?
C19 C16 N8 122.9(14) . . ?
C18 C17 C19 118.1(14) . . ?
C17 C18 C1A 113.4(15) . . ?
C16 C19 C17 121.7(14) . . ?
C14 N11 C10 122.2(5) . . ?
N11 C10 C11 119.4(6) . . ?
C10 C11 C12 119.3(6) . . ?
C13 C12 C11 119.5(6) . . ?
C14 C13 C12 119.8(6) . . ?
N11 C14 C13 119.8(6) . . ?
C20 N1B C20 123.6(16) . 2 ?
C21 C20 N1B 119.1(11) . . ?
C20 C21 C22 117.4(12) . . ?
C21 C22 C21 123.6(17) 2 . ?

_olex2_submission_special_instructions 'No special instructions were received'




_database_code_depnum_ccdc_archive 'CCDC 1021474'
