# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 1555196'
_audit_update_record             
;
2017-06-09 deposited with the CCDC.
2017-07-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C2 H6 Dy O8 P'
_chemical_formula_weight         351.54

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'
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'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.448(7)
_cell_length_b                   7.737(6)
_cell_length_c                   12.200(10)
_cell_angle_alpha                90
_cell_angle_beta                 92.638(8)
_cell_angle_gamma                90
_cell_volume                     796.6(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    566(2)
_cell_measurement_reflns_used    2306
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.931
_exptl_crystal_F_000             652
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_exptl_absorpt_coefficient_mu    9.589
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.127
_exptl_absorpt_correction_T_max  0.147
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      566(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7956
_diffrn_reflns_av_unetI/netI     0.1575
_diffrn_reflns_av_R_equivalents  0.2488
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.119
_diffrn_reflns_theta_max         27.554
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             1819
_reflns_number_gt                1615
_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-2016/6 (Sheldrick, 2016)'
_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)+(0.0690P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         1819
_refine_ls_number_parameters     109
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0623
_refine_ls_wR_factor_ref         0.1696
_refine_ls_wR_factor_gt          0.1675
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.000
_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 0.4657(11) 0.4308(12) 1.0391(7) 0.0153(18) Uani 1 1 d . . . . .
C2 C 1.0259(11) 0.5123(12) 0.9409(7) 0.0143(18) Uani 1 1 d . . . . .
O1 O 0.5258(10) 0.2826(8) 1.0347(6) 0.0203(17) Uani 1 1 d . . . . .
O2 O 0.3585(9) 0.4796(9) 1.0982(5) 0.0214(15) Uani 1 1 d . . . . .
O3 O 0.9601(9) 0.4151(9) 0.8679(5) 0.0206(15) Uani 1 1 d . . . . .
O4 O 1.1250(9) 0.6260(10) 0.9250(5) 0.0268(17) Uani 1 1 d . . . . .
O5 O 0.9449(8) 0.0441(9) 0.8550(5) 0.0212(15) Uani 1 1 d D . . . .
O6 O 1.2234(9) -0.0184(10) 0.9425(5) 0.0257(16) Uani 1 1 d D . . . .
O7 O 0.7070(10) 0.2564(8) 0.7302(6) 0.0198(17) Uani 1 1 d D . . . .
H7A H 0.729084 0.359926 0.692210 0.024 Uiso 1 1 d DR U . . .
H7B H 0.765419 0.194258 0.678578 0.024 Uiso 1 1 d DR U . . .
O8 O 0.5624(9) 0.0207(9) 0.8567(5) 0.0250(16) Uani 1 1 d D . . . .
H8A H 0.547545 0.054367 0.781948 0.030 Uiso 1 1 d DR U . . .
H8B H 0.465741 0.077590 0.871472 0.030 Uiso 1 1 d DR U . . .
P1 P 1.1228(3) 0.0299(4) 0.8434(2) 0.0218(6) Uani 1 1 d D . . . .
H1 H 1.186112 0.153144 0.773722 0.026 Uiso 1 1 d DR U . . .
H2 H 1.144818 -0.095878 0.762939 0.026 Uiso 1 1 d DR U . . .
Dy1 Dy 0.75243(5) 0.22561(6) 0.92324(3) 0.0133(2) Uani 1 1 d 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 O2 1.242(11) . ?
C1 O1 1.256(11) . ?
C1 C1 1.563(17) 3_667 ?
C2 O4 1.236(11) . ?
C2 O3 1.274(11) . ?
C2 C2 1.538(17) 3_767 ?
O1 Dy1 2.438(8) . ?
O2 Dy1 2.475(7) 3_667 ?
O3 Dy1 2.407(7) . ?
O4 Dy1 2.375(7) 3_767 ?
O5 P1 1.520(7) . ?
O5 Dy1 2.331(6) . ?
O6 P1 1.492(6) . ?
O6 Dy1 2.295(6) 3_757 ?
O7 Dy1 2.381(7) . ?
O8 Dy1 2.373(7) . ?

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
O2 C1 O1 127.5(9) . . ?
O2 C1 C1 116.5(10) . 3_667 ?
O1 C1 C1 115.9(10) . 3_667 ?
O4 C2 O3 126.0(8) . . ?
O4 C2 C2 117.3(10) . 3_767 ?
O3 C2 C2 116.7(10) . 3_767 ?
C1 O1 Dy1 121.2(6) . . ?
C1 O2 Dy1 120.1(6) . 3_667 ?
C2 O3 Dy1 117.6(5) . . ?
C2 O4 Dy1 119.8(6) . 3_767 ?
P1 O5 Dy1 141.8(4) . . ?
P1 O6 Dy1 141.4(5) . 3_757 ?
O6 P1 O5 118.1(4) . . ?
O6 Dy1 O5 78.1(3) 3_757 . ?
O6 Dy1 O8 79.3(3) 3_757 . ?
O5 Dy1 O8 87.0(3) . . ?
O6 Dy1 O4 76.1(3) 3_757 3_767 ?
O5 Dy1 O4 106.5(3) . 3_767 ?
O8 Dy1 O4 148.6(2) . 3_767 ?
O6 Dy1 O7 141.4(2) 3_757 . ?
O5 Dy1 O7 77.9(3) . . ?
O8 Dy1 O7 69.7(2) . . ?
O4 Dy1 O7 140.1(2) 3_767 . ?
O6 Dy1 O3 125.7(3) 3_757 . ?
O5 Dy1 O3 74.8(3) . . ?
O8 Dy1 O3 143.3(2) . . ?
O4 Dy1 O3 68.1(2) 3_767 . ?
O7 Dy1 O3 75.4(3) . . ?
O6 Dy1 O1 77.0(3) 3_757 . ?
O5 Dy1 O1 152.4(2) . . ?
O8 Dy1 O1 77.0(3) . . ?
O4 Dy1 O1 78.7(3) 3_767 . ?
O7 Dy1 O1 116.0(3) . . ?
O3 Dy1 O1 130.4(2) . . ?
O6 Dy1 O2 137.7(3) 3_757 3_667 ?
O5 Dy1 O2 141.7(2) . 3_667 ?
O8 Dy1 O2 109.4(2) . 3_667 ?
O4 Dy1 O2 77.7(3) 3_767 3_667 ?
O7 Dy1 O2 76.1(2) . 3_667 ?
O3 Dy1 O2 71.7(3) . 3_667 ?
O1 Dy1 O2 65.7(2) . 3_667 ?

_refine_diff_density_max         6.023
_refine_diff_density_min         -3.890
_refine_diff_density_rms         0.496

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1555197'
_audit_update_record             
;
2017-06-09 deposited with the CCDC.
2017-07-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C2 H6 Gd O8 P'
_chemical_formula_weight         346.29

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'
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'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.470(7)
_cell_length_b                   7.746(6)
_cell_length_c                   12.169(11)
_cell_angle_alpha                90
_cell_angle_beta                 92.917(10)
_cell_angle_gamma                90
_cell_volume                     797.4(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    566(2)
_cell_measurement_reflns_used    2265
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.884
_exptl_crystal_F_000             644
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_absorpt_coefficient_mu    8.526
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.167
_exptl_absorpt_correction_T_max  0.216
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      566(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            6503
_diffrn_reflns_av_unetI/netI     0.1158
_diffrn_reflns_av_R_equivalents  0.2042
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.003
_diffrn_reflns_theta_max         25.005
_diffrn_reflns_theta_full        25.005
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             1405
_reflns_number_gt                1374
_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-2016/6 (Sheldrick, 2016)'
_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)+(0.0062P)²+1.9324P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_extinction_coef       0.0053(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1405
_refine_ls_number_parameters     110
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0486
_refine_ls_wR_factor_ref         0.1091
_refine_ls_wR_factor_gt          0.1084
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_restrained_S_all      1.128
_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 0.5339(7) 0.4304(11) 0.4622(5) 0.0175(16) Uani 1 1 d . . . . .
C2 C -0.0248(7) 0.5128(12) 0.5594(6) 0.0231(18) Uani 1 1 d . . . . .
Gd1 Gd 0.24778(3) 0.22528(6) 0.57682(3) 0.0162(3) Uani 1 1 d D . . . .
O1 O 0.4755(6) 0.2840(8) 0.4654(5) 0.0259(14) Uani 1 1 d . . . . .
O2 O 0.6407(5) 0.4805(8) 0.4023(4) 0.0256(13) Uani 1 1 d . . . . .
O3 O 0.0391(5) 0.4148(8) 0.6308(4) 0.0216(12) Uani 1 1 d . . . . .
O4 O -0.1232(6) 0.6277(10) 0.5758(4) 0.0329(14) Uani 1 1 d . . . . .
O5 O 0.0523(5) 0.0457(8) 0.6439(4) 0.0252(13) Uani 1 1 d D . . . .
O6 O -0.2227(6) -0.0171(9) 0.5580(4) 0.0301(14) Uani 1 1 d D . . . .
O7 O 0.2929(7) 0.2563(8) 0.7710(5) 0.0264(14) Uani 1 1 d D . . . .
H7A H 0.233349 0.225719 0.832207 0.032 Uiso 1 1 d DR U . . .
H7B H 0.350625 0.335588 0.816464 0.032 Uiso 1 1 d DR U . . .
O8 O 0.4406(6) 0.0227(9) 0.6445(4) 0.0321(14) Uani 1 1 d D . . . .
H8A H 0.451614 -0.029943 0.714849 0.039 Uiso 1 1 d DR U . . .
H8B H 0.471182 -0.083143 0.612586 0.039 Uiso 1 1 d DR U . . .
P1 P -0.1230(2) 0.0305(3) 0.65737(16) 0.0267(5) Uani 1 1 d D . . . .
H1 H -0.185610 0.155854 0.725811 0.032 Uiso 1 1 d DR U . . .
H2 H -0.141241 -0.100709 0.735410 0.032 Uiso 1 1 d DR U . . .


_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 O1 1.238(10) . ?
C1 O2 1.252(8) . ?
C1 C1 1.547(15) 3_666 ?
C2 O4 1.242(10) . ?
C2 O3 1.256(10) . ?
C2 C2 1.538(14) 3_566 ?
Gd1 O6 2.302(6) 3_556 ?
Gd1 O5 2.341(5) . ?
Gd1 O4 2.379(6) 3_566 ?
Gd1 O8 2.382(6) . ?
Gd1 O7 2.387(7) . ?
Gd1 O3 2.415(5) . ?
Gd1 O1 2.457(6) . ?
Gd1 O2 2.475(6) 3_666 ?
O5 P1 1.507(5) . ?
O6 P1 1.486(5) . ?

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
O1 C1 O2 127.1(7) . . ?
O1 C1 C1 117.3(7) . 3_666 ?
O2 C1 C1 115.5(9) . 3_666 ?
O4 C2 O3 126.2(7) . . ?
O4 C2 C2 117.4(9) . 3_566 ?
O3 C2 C2 116.4(9) . 3_566 ?
O6 Gd1 O5 77.9(2) 3_556 . ?
O6 Gd1 O4 76.0(2) 3_556 3_566 ?
O5 Gd1 O4 105.3(2) . 3_566 ?
O6 Gd1 O8 79.7(2) 3_556 . ?
O5 Gd1 O8 88.4(2) . . ?
O4 Gd1 O8 148.72(18) 3_566 . ?
O6 Gd1 O7 141.3(2) 3_556 . ?
O5 Gd1 O7 78.17(19) . . ?
O4 Gd1 O7 140.1(2) 3_566 . ?
O8 Gd1 O7 69.6(2) . . ?
O6 Gd1 O3 125.28(17) 3_556 . ?
O5 Gd1 O3 74.1(2) . . ?
O4 Gd1 O3 67.64(17) 3_566 . ?
O8 Gd1 O3 143.62(18) . . ?
O7 Gd1 O3 75.63(18) . . ?
O6 Gd1 O1 77.5(2) 3_556 . ?
O5 Gd1 O1 153.1(2) . . ?
O4 Gd1 O1 79.1(2) 3_566 . ?
O8 Gd1 O1 76.6(2) . . ?
O7 Gd1 O1 115.9(2) . . ?
O3 Gd1 O1 130.1(2) . . ?
O6 Gd1 O2 137.63(19) 3_556 3_666 ?
O5 Gd1 O2 141.66(18) . 3_666 ?
O4 Gd1 O2 77.9(2) 3_566 3_666 ?
O8 Gd1 O2 108.65(19) . 3_666 ?
O7 Gd1 O2 76.39(19) . 3_666 ?
O3 Gd1 O2 72.12(18) . 3_666 ?
O1 Gd1 O2 65.15(18) . 3_666 ?
C1 O1 Gd1 120.9(5) . . ?
C1 O2 Gd1 120.6(5) . 3_666 ?
C2 O3 Gd1 118.3(5) . . ?
C2 O4 Gd1 119.5(5) . 3_566 ?
P1 O5 Gd1 143.4(4) . . ?
P1 O6 Gd1 141.4(4) . 3_556 ?
O6 P1 O5 117.0(3) . . ?

_refine_diff_density_max         2.549
_refine_diff_density_min         -2.859
_refine_diff_density_rms         0.372

