# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_database_code_depnum_ccdc_archive 'CCDC 2159777'
loop_
_audit_author_name
_audit_author_address
'Nikos Panagiotou'
;University of Cyprus
Cyprus
;
_audit_update_record             
;
2022-03-17 deposited with the CCDC.	2022-05-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H16 Co N10 O7 Yb, 4(O)'
_chemical_formula_sum            'C26 H16 Co N10 O11 Yb'
_chemical_formula_weight         876.46

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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1974(4)
_cell_length_b                   12.2711(5)
_cell_length_c                   13.8414(5)
_cell_angle_alpha                85.275(3)
_cell_angle_beta                 87.856(3)
_cell_angle_gamma                70.730(4)
_cell_volume                     1629.33(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(1)
_cell_measurement_reflns_used    13130
_cell_measurement_theta_min      3.4500
_cell_measurement_theta_max      29.0190

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.786
_exptl_crystal_F_000             854
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.055
_exptl_absorpt_coefficient_mu    3.434
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.78281
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_oxdiff_exptl_absorpt_empirical_full_min 0.814
_oxdiff_exptl_absorpt_empirical_full_max 1.308
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.4223
_diffrn_reflns_number            23274
_diffrn_reflns_av_unetI/netI     0.0779
_diffrn_reflns_av_R_equivalents  0.0669
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         3.326
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7335
_reflns_number_gt                6348
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0247P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7335
_refine_ls_number_parameters     442
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_ref         0.0847
_refine_ls_wR_factor_gt          0.0797
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_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
C1 C 0.4332(5) 0.4466(4) 0.6764(4) 0.0315(13) Uani 1 1 d . . . . .
H1 H 0.483129 0.406157 0.732271 0.038 Uiso 1 1 calc R U . . .
C2 C 0.4247(6) 0.3876(5) 0.5984(4) 0.0385(15) Uani 1 1 d . . . . .
H2 H 0.468534 0.306129 0.600434 0.046 Uiso 1 1 calc R U . . .
C3 C 0.3535(6) 0.4452(5) 0.5174(4) 0.0370(15) Uani 1 1 d . . . . .
H3 H 0.347493 0.404300 0.463240 0.044 Uiso 1 1 calc R U . . .
C4 C 0.2906(5) 0.5634(5) 0.5156(4) 0.0282(12) Uani 1 1 d . . . . .
H4 H 0.239984 0.604447 0.460236 0.034 Uiso 1 1 calc R U . . .
C5 C 0.3010(5) 0.6225(4) 0.5943(3) 0.0215(11) Uani 1 1 d . . . . .
C6 C 0.2304(5) 0.7476(4) 0.5984(3) 0.0207(11) Uani 1 1 d . . . . .
C7 C 0.0888(5) 0.7990(5) 0.5896(3) 0.0281(12) Uani 1 1 d . . . . .
H7 H 0.032625 0.753191 0.578069 0.034 Uiso 1 1 calc R U . . .
C8 C 0.0279(6) 0.9163(5) 0.5973(3) 0.0325(13) Uani 1 1 d . . . . .
H8 H -0.070082 0.951326 0.594187 0.039 Uiso 1 1 calc R U . . .
C9 C 0.1110(6) 0.9810(5) 0.6095(4) 0.0362(15) Uani 1 1 d . . . . .
H9 H 0.071029 1.062229 0.613873 0.043 Uiso 1 1 calc R U . . .
C10 C 0.2525(6) 0.9293(4) 0.6156(3) 0.0325(13) Uani 1 1 d . . . . .
H10 H 0.310057 0.975470 0.621694 0.039 Uiso 1 1 calc R U . . .
C11 C 0.4269(5) 1.0687(4) 0.8142(4) 0.0245(11) Uani 1 1 d . . . . .
H11 H 0.350964 1.076429 0.773456 0.029 Uiso 1 1 calc R U . . .
C12 C 0.4172(5) 1.1522(4) 0.8767(4) 0.0305(13) Uani 1 1 d . . . . .
H12 H 0.334649 1.216921 0.879903 0.037 Uiso 1 1 calc R U . . .
C13 C 0.5277(6) 1.1415(5) 0.9344(4) 0.0334(13) Uani 1 1 d . . . . .
H13 H 0.522810 1.198921 0.977689 0.040 Uiso 1 1 calc R U . . .
C14 C 0.6460(6) 1.0466(4) 0.9291(4) 0.0278(12) Uani 1 1 d . . . . .
H14 H 0.723386 1.038544 0.968471 0.033 Uiso 1 1 calc R U . . .
C15 C 0.6519(5) 0.9632(4) 0.8664(3) 0.0189(10) Uani 1 1 d . . . . .
C16 C 0.7831(5) 0.8685(4) 0.8532(3) 0.0183(10) Uani 1 1 d . . . . .
C17 C 0.9054(5) 0.8906(5) 0.8323(3) 0.0268(12) Uani 1 1 d . . . . .
H17 H 0.905422 0.968243 0.824338 0.032 Uiso 1 1 calc R U . . .
C18 C 1.0281(5) 0.8001(5) 0.8230(3) 0.0296(12) Uani 1 1 d . . . . .
H18 H 1.112449 0.815277 0.808192 0.035 Uiso 1 1 calc R U . . .
C19 C 1.0274(5) 0.6875(5) 0.8354(4) 0.0312(13) Uani 1 1 d . . . . .
H19 H 1.110541 0.624503 0.827676 0.037 Uiso 1 1 calc R U . . .
C20 C 0.9047(5) 0.6682(4) 0.8591(4) 0.0263(12) Uani 1 1 d . . . . .
H20 H 0.903351 0.591073 0.869610 0.032 Uiso 1 1 calc R U . . .
C21 C 0.7795(5) 0.4279(4) 0.7719(3) 0.0186(10) Uani 1 1 d . . . . .
C22 C 1.0083(5) 0.3014(4) 0.6734(4) 0.0208(11) Uani 1 1 d . . . . .
C23 C 0.8076(5) 0.2130(4) 0.7279(3) 0.0221(11) Uani 1 1 d . . . . .
C24 C 0.8318(5) 0.2608(4) 0.9129(4) 0.0218(11) Uani 1 1 d . . . . .
C25 C 1.0321(5) 0.3494(4) 0.8563(4) 0.0239(11) Uani 1 1 d . . . . .
C26 C 1.0532(5) 0.1332(4) 0.8195(3) 0.0222(11) Uani 1 1 d . . . . .
N1 N 0.3703(4) 0.5627(4) 0.6739(3) 0.0235(9) Uani 1 1 d . . . . .
N2 N 0.3099(4) 0.8147(3) 0.6129(3) 0.0213(9) Uani 1 1 d . . . . .
N3 N 0.5418(4) 0.9767(3) 0.8098(3) 0.0179(9) Uani 1 1 d . . . . .
N4 N 0.7869(4) 0.7570(3) 0.8675(3) 0.0178(8) Uani 1 1 d . . . . .
N5 N 0.6915(4) 0.5161(3) 0.7619(3) 0.0236(9) Uani 1 1 d . . . . .
N6 N 1.0609(5) 0.3159(4) 0.6024(3) 0.0393(12) Uani 1 1 d . . . . .
N7 N 0.7430(5) 0.1722(4) 0.6867(3) 0.0406(12) Uani 1 1 d . . . . .
N8 N 0.7802(5) 0.2498(4) 0.9868(3) 0.0318(11) Uani 1 1 d . . . . .
N9 N 1.1021(5) 0.3905(4) 0.8924(3) 0.0350(11) Uani 1 1 d . . . . .
N10 N 1.1344(4) 0.0438(4) 0.8331(3) 0.0271(10) Uani 1 1 d . . . . .
O1 O 0.3743(3) 0.6178(3) 0.7519(2) 0.0205(7) Uani 1 1 d . . . . .
O2 O 0.4465(3) 0.7657(3) 0.6212(2) 0.0225(7) Uani 1 1 d . . . . .
O3 O 0.5479(3) 0.9011(3) 0.7438(2) 0.0187(7) Uani 1 1 d . . . . .
O4 O 0.6702(3) 0.7333(3) 0.8909(2) 0.0180(7) Uani 1 1 d . . . . .
O5 O 0.5008(3) 0.6140(3) 0.9180(2) 0.0206(7) Uani 1 1 d . . . . .
O6 O 0.3384(3) 0.8301(3) 0.8492(2) 0.0175(7) Uani 1 1 d . . . . .
O7 O 0.7186(3) 0.7113(3) 0.6681(2) 0.0248(8) Uani 1 1 d . . . . .
O8 O 0.9628(4) 0.5766(4) 0.6010(3) 0.0577(13) Uani 1 1 d . . . . .
O9 O 0.6933(4) 0.8399(3) 0.4968(3) 0.0395(10) Uani 1 1 d . . . . .
O10 O 0.4351(4) 0.9195(3) 0.4081(3) 0.0412(10) Uani 1 1 d . . . . .
O11 O 0.7107(4) 0.5013(3) 1.0375(3) 0.0494(11) Uani 1 1 d . . . . .
Co1 Co 0.91787(6) 0.28183(5) 0.79356(4) 0.01627(14) Uani 1 1 d . . . . .
Yb1 Yb 0.53569(2) 0.71242(2) 0.77374(2) 0.01423(7) Uani 1 1 d . . . . .


_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
C1 N1 1.354(6) . ?
C1 C2 1.370(7) . ?
C1 H1 0.9500 . ?
C2 C3 1.369(8) . ?
C2 H2 0.9500 . ?
C3 C4 1.377(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.382(6) . ?
C4 H4 0.9500 . ?
C5 N1 1.355(6) . ?
C5 C6 1.470(6) . ?
C6 N2 1.362(6) . ?
C6 C7 1.378(7) . ?
C7 C8 1.378(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.362(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.374(8) . ?
C9 H9 0.9500 . ?
C10 N2 1.336(6) . ?
C10 H10 0.9500 . ?
C11 N3 1.336(6) . ?
C11 C12 1.371(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.370(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.377(7) . ?
C13 H13 0.9500 . ?
C14 C15 1.380(6) . ?
C14 H14 0.9500 . ?
C15 N3 1.350(6) . ?
C15 C16 1.472(6) . ?
C16 N4 1.354(6) . ?
C16 C17 1.377(6) . ?
C17 C18 1.382(7) . ?
C17 H17 0.9500 . ?
C18 C19 1.380(7) . ?
C18 H18 0.9500 . ?
C19 C20 1.372(7) . ?
C19 H19 0.9500 . ?
C20 N4 1.338(6) . ?
C20 H20 0.9500 . ?
C21 N5 1.157(6) . ?
C21 Co1 1.889(5) . ?
C22 N6 1.132(6) . ?
C22 Co1 1.907(5) . ?
C23 N7 1.141(6) . ?
C23 Co1 1.907(5) . ?
C24 N8 1.151(6) . ?
C24 Co1 1.881(5) . ?
C25 N9 1.148(6) . ?
C25 Co1 1.906(5) . ?
C26 N10 1.141(6) . ?
C26 Co1 1.905(5) . ?
N1 O1 1.329(5) . ?
N2 O2 1.328(5) . ?
N2 Yb1 3.138(4) . ?
N3 O3 1.341(4) . ?
N4 O4 1.338(5) . ?
N4 Yb1 3.137(4) . ?
N5 Yb1 2.424(4) . ?
O1 Yb1 2.346(3) . ?
O2 Yb1 2.288(3) . ?
O3 Yb1 2.361(3) . ?
O4 Yb1 2.246(3) . ?
O5 Yb1 2.325(3) . ?
O6 Yb1 2.323(3) . ?
O7 Yb1 2.323(3) . ?

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
N1 C1 C2 119.9(5) . . ?
N1 C1 H1 120.1 . . ?
C2 C1 H1 120.1 . . ?
C3 C2 C1 120.5(5) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C2 C3 C4 118.9(5) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C3 C4 C5 120.2(5) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
N1 C5 C4 119.4(5) . . ?
N1 C5 C6 117.9(4) . . ?
C4 C5 C6 122.6(5) . . ?
N2 C6 C7 119.1(4) . . ?
N2 C6 C5 117.8(4) . . ?
C7 C6 C5 123.1(5) . . ?
C6 C7 C8 120.4(5) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C9 C8 C7 118.7(5) . . ?
C9 C8 H8 120.6 . . ?
C7 C8 H8 120.6 . . ?
C8 C9 C10 120.2(5) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
N2 C10 C9 120.6(5) . . ?
N2 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
N3 C11 C12 120.9(5) . . ?
N3 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C13 C12 C11 119.3(5) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 H12 120.3 . . ?
C12 C13 C14 119.4(5) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
C13 C14 C15 119.9(5) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
N3 C15 C14 119.4(5) . . ?
N3 C15 C16 120.4(4) . . ?
C14 C15 C16 119.8(5) . . ?
N4 C16 C17 118.7(4) . . ?
N4 C16 C15 120.1(4) . . ?
C17 C16 C15 121.1(4) . . ?
C16 C17 C18 120.1(5) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C19 C18 C17 119.6(5) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C20 C19 C18 118.9(5) . . ?
C20 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
N4 C20 C19 120.6(5) . . ?
N4 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
N5 C21 Co1 177.0(4) . . ?
N6 C22 Co1 178.2(4) . . ?
N7 C23 Co1 178.5(5) . . ?
N8 C24 Co1 178.5(4) . . ?
N9 C25 Co1 178.7(5) . . ?
N10 C26 Co1 178.6(4) . . ?
O1 N1 C1 119.0(4) . . ?
O1 N1 C5 119.9(4) . . ?
C1 N1 C5 121.1(4) . . ?
O2 N2 C10 119.9(4) . . ?
O2 N2 C6 119.3(4) . . ?
C10 N2 C6 120.7(5) . . ?
O2 N2 Yb1 40.09(18) . . ?
C10 N2 Yb1 111.1(3) . . ?
C6 N2 Yb1 114.7(3) . . ?
C11 N3 O3 118.1(4) . . ?
C11 N3 C15 121.1(4) . . ?
O3 N3 C15 120.7(4) . . ?
C20 N4 O4 118.2(4) . . ?
C20 N4 C16 122.1(4) . . ?
O4 N4 C16 119.7(4) . . ?
C20 N4 Yb1 111.7(3) . . ?
O4 N4 Yb1 38.31(18) . . ?
C16 N4 Yb1 113.0(3) . . ?
C21 N5 Yb1 165.9(4) . . ?
N1 O1 Yb1 124.1(3) . . ?
N2 O2 Yb1 118.0(2) . . ?
N3 O3 Yb1 126.9(2) . . ?
N4 O4 Yb1 120.0(2) . . ?
C24 Co1 C21 89.1(2) . . ?
C24 Co1 C26 88.7(2) . . ?
C21 Co1 C26 177.80(19) . . ?
C24 Co1 C25 90.0(2) . . ?
C21 Co1 C25 91.0(2) . . ?
C26 Co1 C25 89.4(2) . . ?
C24 Co1 C23 91.5(2) . . ?
C21 Co1 C23 89.7(2) . . ?
C26 Co1 C23 89.9(2) . . ?
C25 Co1 C23 178.3(2) . . ?
C24 Co1 C22 179.0(2) . . ?
C21 Co1 C22 91.79(19) . . ?
C26 Co1 C22 90.4(2) . . ?
C25 Co1 C22 89.5(2) . . ?
C23 Co1 C22 89.0(2) . . ?
O4 Yb1 O2 149.00(11) . . ?
O4 Yb1 O6 90.72(11) . . ?
O2 Yb1 O6 93.99(11) . . ?
O4 Yb1 O7 86.25(11) . . ?
O2 Yb1 O7 72.33(12) . . ?
O6 Yb1 O7 144.45(11) . . ?
O4 Yb1 O5 69.55(11) . . ?
O2 Yb1 O5 140.72(12) . . ?
O6 Yb1 O5 72.14(10) . . ?
O7 Yb1 O5 137.87(11) . . ?
O4 Yb1 O1 139.16(11) . . ?
O2 Yb1 O1 71.61(11) . . ?
O6 Yb1 O1 78.07(11) . . ?
O7 Yb1 O1 124.80(11) . . ?
O5 Yb1 O1 69.63(11) . . ?
O4 Yb1 O3 74.27(11) . . ?
O2 Yb1 O3 77.30(11) . . ?
O6 Yb1 O3 75.55(10) . . ?
O7 Yb1 O3 69.53(11) . . ?
O5 Yb1 O3 130.35(10) . . ?
O1 Yb1 O3 137.23(11) . . ?
O4 Yb1 N5 88.92(13) . . ?
O2 Yb1 N5 103.76(12) . . ?
O6 Yb1 N5 145.55(12) . . ?
O7 Yb1 N5 69.89(12) . . ?
O5 Yb1 N5 75.52(12) . . ?
O1 Yb1 N5 79.88(13) . . ?
O3 Yb1 N5 136.79(12) . . ?
O4 Yb1 N4 21.67(10) . . ?
O2 Yb1 N4 129.82(11) . . ?
O6 Yb1 N4 105.50(10) . . ?
O7 Yb1 N4 64.98(11) . . ?
O5 Yb1 N4 89.45(11) . . ?
O1 Yb1 N4 156.89(11) . . ?
O3 Yb1 N4 64.23(11) . . ?
N5 Yb1 N4 85.56(12) . . ?
O4 Yb1 N2 151.70(10) . . ?
O2 Yb1 N2 21.95(10) . . ?
O6 Yb1 N2 73.17(10) . . ?
O7 Yb1 N2 93.55(11) . . ?
O5 Yb1 N2 124.06(11) . . ?
O1 Yb1 N2 61.19(11) . . ?
O3 Yb1 N2 79.15(11) . . ?
N5 Yb1 N2 117.60(12) . . ?
N4 Yb1 N2 141.92(10) . . ?

_refine_diff_density_max         2.133
_refine_diff_density_min         -1.760
_refine_diff_density_rms         0.155


# start Validation Reply Form

_vrf_PLAT306_shelx               
;
RESPONSE: This is because the hydrogen atoms of the crystallization
water molecules have not been located.
;

_vrf_PLAT430_shelx               
;
RESPONSE: An extensive hydrogen bond network is formed between the 
terminal/solvation water molecules as well as the nitrogen atoms of
CN- ligands of [Co(CN)6]3- anion. 
;

# end Validation Reply Form_shelx
