# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_2405_wzj
_database_code_depnum_ccdc_archive 'CCDC 2544357'
loop_
_audit_author_name
_audit_author_address
'Zijian Wang'
;China Unversity of Petroleum
China
;
_audit_update_record             
;
2026-04-07 deposited with the CCDC.	2026-04-23 downloaded from the CCDC.
;
_audit_creation_date             2026-04-07
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C21 H13 Cu O7 P'
_chemical_formula_sum            'C21 H13 Cu O7 P'
_chemical_formula_weight         471.82
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   16.2972(7)
_cell_length_b                   23.6542(12)
_cell_length_c                   14.4505(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5570.6(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7196
_cell_measurement_temperature    200.0
_cell_measurement_theta_max      68.310
_cell_measurement_theta_min      3.293
_shelx_estimated_absorpt_T_max   0.903
_shelx_estimated_absorpt_T_min   0.744
_exptl_absorpt_coefficient_mu    1.921
_exptl_absorpt_correction_T_max  0.7338
_exptl_absorpt_correction_T_min  0.5973
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1238 before and 0.1024 after correction.
The Ratio of minimum to maximum transmission is 0.8140.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.125
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.164
_exptl_crystal_size_mid          0.134
_exptl_crystal_size_min          0.054
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0878
_diffrn_reflns_av_unetI/netI     0.0830
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18711
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.365
_diffrn_reflns_theta_min         3.737
_diffrn_ambient_temperature      200.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4093
_reflns_number_total             5054
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.852
_refine_diff_density_min         -0.621
_refine_diff_density_rms         0.230
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.263
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         5054
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.1097
_refine_ls_R_factor_gt           0.0976
_refine_ls_restrained_S_all      1.263
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2869
_refine_ls_wR_factor_ref         0.3073
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H) groups
2. Restrained distances
 O3-H3
 0.84 with sigma of 0.02
 O4_$1-H3
 1.82 with sigma of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3A), C4(H4), C6(H6), C7(H7), C10(H10), C11(H11), C13(H13), C14(H14),
 C17(H17), C18(H18), C20(H20), C21(H21)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Cu1 Cu 0.44021(4) 0.14703(3) 0.18925(4) 0.0223(3) Uani 1 1 d . . . . .
P1 P 0.23334(7) 0.38834(5) 0.57239(7) 0.0234(4) Uani 1 1 d . . . . .
O1 O 0.3885(2) 0.19727(16) 0.2811(2) 0.0346(8) Uani 1 1 d . . . . .
O2 O 0.5031(2) 0.21266(14) 0.3642(3) 0.0345(8) Uani 1 1 d . . . . .
O3 O 0.4468(4) 0.4392(3) 0.9646(4) 0.090(2) Uani 1 1 d D . . . .
H3 H 0.467(4) 0.449(4) 1.017(3) 0.108 Uiso 1 1 d D U . . .
O4 O 0.4606(4) 0.5232(3) 0.8968(4) 0.0749(16) Uani 1 1 d . . . . .
O5 O 0.0144(2) 0.59709(15) 0.3812(2) 0.0311(8) Uani 1 1 d . . . . .
O6 O 0.0990(2) 0.58127(15) 0.2618(2) 0.0315(8) Uani 1 1 d . . . . .
O7 O 0.1630(2) 0.35317(14) 0.6050(2) 0.0309(8) Uani 1 1 d . . . . .
C1 C 0.4296(3) 0.2219(2) 0.3432(4) 0.0308(11) Uani 1 1 d . . . . .
C2 C 0.3837(3) 0.2659(2) 0.3977(4) 0.0329(11) Uani 1 1 d . . . . .
C3 C 0.3008(3) 0.2721(3) 0.3847(4) 0.0464(14) Uani 1 1 d . . . . .
H3A H 0.272879 0.249573 0.340234 0.056 Uiso 1 1 calc R U . . .
C4 C 0.2582(4) 0.3113(3) 0.4370(4) 0.0492(16) Uani 1 1 d . . . . .
H4 H 0.200586 0.315140 0.428862 0.059 Uiso 1 1 calc R U . . .
C5 C 0.2979(3) 0.3450(2) 0.5008(3) 0.0278(10) Uani 1 1 d . . . . .
C6 C 0.3812(3) 0.3404(3) 0.5105(4) 0.0412(13) Uani 1 1 d . . . . .
H6 H 0.409536 0.365019 0.551475 0.049 Uiso 1 1 calc R U . . .
C7 C 0.4248(3) 0.2998(3) 0.4609(4) 0.0434(14) Uani 1 1 d . . . . .
H7 H 0.482124 0.295327 0.470210 0.052 Uiso 1 1 calc R U . . .
C8 C 0.0746(3) 0.5730(2) 0.3430(3) 0.0265(9) Uani 1 1 d . . . . .
C9 C 0.1200(3) 0.5306(2) 0.4003(3) 0.0283(10) Uani 1 1 d . . . . .
C10 C 0.1820(3) 0.4981(2) 0.3617(3) 0.0364(12) Uani 1 1 d . . . . .
H10 H 0.197791 0.503955 0.299100 0.044 Uiso 1 1 calc R U . . .
C11 C 0.2214(3) 0.4567(2) 0.4145(4) 0.0368(12) Uani 1 1 d . . . . .
H11 H 0.264053 0.434587 0.388044 0.044 Uiso 1 1 calc R U . . .
C12 C 0.1979(3) 0.4478(2) 0.5058(3) 0.0269(9) Uani 1 1 d . . . . .
C13 C 0.1382(3) 0.4817(2) 0.5452(3) 0.0320(11) Uani 1 1 d . . . . .
H13 H 0.123949 0.476724 0.608466 0.038 Uiso 1 1 calc R U . . .
C14 C 0.0992(3) 0.5227(2) 0.4932(3) 0.0337(11) Uani 1 1 d . . . . .
H14 H 0.057973 0.545552 0.520695 0.040 Uiso 1 1 calc R U . . .
C15 C 0.4346(4) 0.4733(4) 0.8987(5) 0.0577(18) Uani 1 1 d . . . . .
C16 C 0.3867(4) 0.4523(3) 0.8166(4) 0.0446(14) Uani 1 1 d . . . . .
C17 C 0.3827(4) 0.4843(3) 0.7374(4) 0.0495(15) Uani 1 1 d . . . . .
H17 H 0.411247 0.519194 0.734016 0.059 Uiso 1 1 calc R U . . .
C18 C 0.3367(4) 0.4655(3) 0.6620(4) 0.0432(13) Uani 1 1 d . . . . .
H18 H 0.334183 0.487553 0.607106 0.052 Uiso 1 1 calc R U . . .
C19 C 0.2948(3) 0.4147(2) 0.6675(3) 0.0296(10) Uani 1 1 d . . . . .
C20 C 0.2983(4) 0.3831(3) 0.7480(4) 0.0460(14) Uani 1 1 d . . . . .
H20 H 0.267848 0.348919 0.752325 0.055 Uiso 1 1 calc R U . . .
C21 C 0.3454(5) 0.4005(4) 0.8219(4) 0.0579(18) Uani 1 1 d . . . . .
H21 H 0.349745 0.377725 0.875784 0.069 Uiso 1 1 calc R 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
Cu1 Cu1 2.6231(13) 3_655 ?
Cu1 O1 1.971(3) . ?
Cu1 O2 1.965(3) 3_655 ?
Cu1 O5 1.973(3) 6_656 ?
Cu1 O6 1.981(3) 8_655 ?
Cu1 O7 2.077(3) 2_554 ?
P1 O7 1.492(4) . ?
P1 C5 1.798(5) . ?
P1 C12 1.800(5) . ?
P1 C19 1.812(5) . ?
O1 C1 1.262(6) . ?
O2 C1 1.255(6) . ?
O3 H3 0.857(18) . ?
O3 C15 1.264(10) . ?
O4 C15 1.254(10) . ?
O5 C8 1.262(6) . ?
O6 C8 1.254(6) . ?
C1 C2 1.504(7) . ?
C2 C3 1.372(7) . ?
C2 C7 1.387(8) . ?
C3 H3A 0.9500 . ?
C3 C4 1.384(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(8) . ?
C5 C6 1.370(7) . ?
C6 H6 0.9500 . ?
C6 C7 1.393(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.497(7) . ?
C9 C10 1.388(7) . ?
C9 C14 1.397(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.398(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.389(7) . ?
C12 C13 1.383(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.382(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.505(8) . ?
C16 C17 1.373(10) . ?
C16 C21 1.399(11) . ?
C17 H17 0.9500 . ?
C17 C18 1.394(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.385(8) . ?
C19 C20 1.384(8) . ?
C20 H20 0.9500 . ?
C20 C21 1.379(9) . ?
C21 H21 0.9500 . ?

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 Cu1 Cu1 82.35(11) . 3_655 ?
O1 Cu1 O5 166.02(15) . 6_656 ?
O1 Cu1 O6 88.82(15) . 8_655 ?
O1 Cu1 O7 92.86(14) . 2_554 ?
O2 Cu1 Cu1 85.03(11) 3_655 3_655 ?
O2 Cu1 O1 89.37(16) 3_655 . ?
O2 Cu1 O5 88.98(15) 3_655 6_656 ?
O2 Cu1 O6 168.46(14) 3_655 8_655 ?
O2 Cu1 O7 98.78(14) 3_655 2_554 ?
O5 Cu1 Cu1 83.68(10) 6_656 3_655 ?
O5 Cu1 O6 90.02(15) 6_656 8_655 ?
O5 Cu1 O7 101.11(14) 6_656 2_554 ?
O6 Cu1 Cu1 83.43(10) 8_655 3_655 ?
O6 Cu1 O7 92.70(14) 8_655 2_554 ?
O7 Cu1 Cu1 173.88(11) 2_554 3_655 ?
O7 P1 C5 108.2(2) . . ?
O7 P1 C12 111.0(2) . . ?
O7 P1 C19 112.2(2) . . ?
C5 P1 C12 109.0(2) . . ?
C5 P1 C19 108.0(2) . . ?
C12 P1 C19 108.3(2) . . ?
C1 O1 Cu1 122.1(3) . . ?
C1 O2 Cu1 119.5(3) . 3_655 ?
C15 O3 H3 123(7) . . ?
C8 O5 Cu1 121.4(3) . 6_566 ?
C8 O6 Cu1 121.0(3) . 8_665 ?
P1 O7 Cu1 143.9(2) . 2 ?
O1 C1 C2 115.4(4) . . ?
O2 C1 O1 126.7(5) . . ?
O2 C1 C2 117.9(4) . . ?
C3 C2 C1 119.4(5) . . ?
C3 C2 C7 120.3(5) . . ?
C7 C2 C1 120.3(5) . . ?
C2 C3 H3A 120.3 . . ?
C2 C3 C4 119.4(5) . . ?
C4 C3 H3A 120.3 . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 121.1(5) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 P1 116.0(4) . . ?
C6 C5 P1 124.5(4) . . ?
C6 C5 C4 119.3(5) . . ?
C5 C6 H6 119.8 . . ?
C5 C6 C7 120.4(5) . . ?
C7 C6 H6 119.8 . . ?
C2 C7 C6 119.4(5) . . ?
C2 C7 H7 120.3 . . ?
C6 C7 H7 120.3 . . ?
O5 C8 C9 116.4(4) . . ?
O6 C8 O5 125.8(4) . . ?
O6 C8 C9 117.7(4) . . ?
C10 C9 C8 120.6(4) . . ?
C10 C9 C14 119.3(4) . . ?
C14 C9 C8 120.1(4) . . ?
C9 C10 H10 119.9 . . ?
C9 C10 C11 120.2(5) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 120.1 . . ?
C12 C11 C10 119.8(5) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 P1 122.5(4) . . ?
C13 C12 P1 117.2(4) . . ?
C13 C12 C11 119.9(4) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.3(4) . . ?
C14 C13 H13 119.8 . . ?
C9 C14 H14 119.8 . . ?
C13 C14 C9 120.4(5) . . ?
C13 C14 H14 119.8 . . ?
O3 C15 C16 117.7(7) . . ?
O4 C15 O3 124.4(6) . . ?
O4 C15 C16 117.9(7) . . ?
C17 C16 C15 120.0(6) . . ?
C17 C16 C21 120.3(5) . . ?
C21 C16 C15 119.7(6) . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.1(6) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.7(6) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 P1 121.9(4) . . ?
C20 C19 P1 118.3(4) . . ?
C20 C19 C18 119.9(5) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 C19 120.7(6) . . ?
C21 C20 H20 119.6 . . ?
C16 C21 H21 120.4 . . ?
C20 C21 C16 119.2(6) . . ?
C20 C21 H21 120.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu1 O1 C1 O2 -10.8(7) . . . . ?
Cu1 O1 C1 C2 170.4(3) . . . . ?
Cu1 O2 C1 O1 -9.5(7) 3_655 . . . ?
Cu1 O2 C1 C2 169.3(3) 3_655 . . . ?
Cu1 O5 C8 O6 6.9(7) 6_566 . . . ?
Cu1 O5 C8 C9 -172.5(3) 6_566 . . . ?
Cu1 O6 C8 O5 13.8(7) 8_665 . . . ?
Cu1 O6 C8 C9 -166.8(3) 8_665 . . . ?
P1 C5 C6 C7 170.8(5) . . . . ?
P1 C12 C13 C14 -170.1(4) . . . . ?
P1 C19 C20 C21 178.7(5) . . . . ?
O1 C1 C2 C3 7.2(8) . . . . ?
O1 C1 C2 C7 -173.2(5) . . . . ?
O2 C1 C2 C3 -171.8(5) . . . . ?
O2 C1 C2 C7 7.8(8) . . . . ?
O3 C15 C16 C17 -169.7(7) . . . . ?
O3 C15 C16 C21 11.3(10) . . . . ?
O4 C15 C16 C17 9.3(10) . . . . ?
O4 C15 C16 C21 -169.6(7) . . . . ?
O5 C8 C9 C10 173.8(5) . . . . ?
O5 C8 C9 C14 -5.0(7) . . . . ?
O6 C8 C9 C10 -5.7(7) . . . . ?
O6 C8 C9 C14 175.5(5) . . . . ?
O7 P1 C5 C4 44.5(5) . . . . ?
O7 P1 C5 C6 -130.4(5) . . . . ?
O7 P1 C12 C11 -120.8(4) . . . . ?
O7 P1 C12 C13 52.0(5) . . . . ?
O7 P1 C19 C18 -150.1(4) . . . . ?
O7 P1 C19 C20 28.9(5) . . . . ?
C1 C2 C3 C4 177.9(6) . . . . ?
C1 C2 C7 C6 179.9(5) . . . . ?
C2 C3 C4 C5 1.1(11) . . . . ?
C3 C2 C7 C6 -0.5(9) . . . . ?
C3 C4 C5 P1 -173.4(6) . . . . ?
C3 C4 C5 C6 1.7(10) . . . . ?
C4 C5 C6 C7 -3.9(9) . . . . ?
C5 P1 O7 Cu1 175.6(3) . . . 2 ?
C5 P1 C12 C11 -1.6(5) . . . . ?
C5 P1 C12 C13 171.1(4) . . . . ?
C5 P1 C19 C18 90.7(5) . . . . ?
C5 P1 C19 C20 -90.3(5) . . . . ?
C5 C6 C7 C2 3.4(10) . . . . ?
C7 C2 C3 C4 -1.7(10) . . . . ?
C8 C9 C10 C11 -176.9(5) . . . . ?
C8 C9 C14 C13 176.9(5) . . . . ?
C9 C10 C11 C12 0.4(9) . . . . ?
C10 C9 C14 C13 -1.9(8) . . . . ?
C10 C11 C12 P1 169.7(4) . . . . ?
C10 C11 C12 C13 -2.8(8) . . . . ?
C11 C12 C13 C14 2.8(8) . . . . ?
C12 P1 O7 Cu1 -64.8(4) . . . 2 ?
C12 P1 C5 C4 -76.4(5) . . . . ?
C12 P1 C5 C6 108.8(5) . . . . ?
C12 P1 C19 C18 -27.3(5) . . . . ?
C12 P1 C19 C20 151.7(4) . . . . ?
C12 C13 C14 C9 -0.5(8) . . . . ?
C14 C9 C10 C11 1.9(8) . . . . ?
C15 C16 C17 C18 -178.4(6) . . . . ?
C15 C16 C21 C20 176.7(6) . . . . ?
C16 C17 C18 C19 0.4(10) . . . . ?
C17 C16 C21 C20 -2.3(10) . . . . ?
C17 C18 C19 P1 179.5(5) . . . . ?
C17 C18 C19 C20 0.5(9) . . . . ?
C18 C19 C20 C21 -2.3(9) . . . . ?
C19 P1 O7 Cu1 56.5(4) . . . 2 ?
C19 P1 C5 C4 166.1(5) . . . . ?
C19 P1 C5 C6 -8.7(6) . . . . ?
C19 P1 C12 C11 115.7(5) . . . . ?
C19 P1 C12 C13 -71.5(4) . . . . ?
C19 C20 C21 C16 3.2(10) . . . . ?
C21 C16 C17 C18 0.5(10) . . . . ?

# end Validation Reply Form
_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT430_2405_wzj            
;
PROBLEM: Short Inter D...A Contact  O3       ..O4       .       2.66 Ang.  
RESPONSE: As both oxygen atoms are coordinated to the Cu1 ion, 
the O...O distance is observed to be short.
;
# start Validation Reply Form
_vrf_PLAT602_2405_wzj            
;
PROBLEM: Solvent Accessible VOID(S) in the Unit-Cell ....          ! Check 
RESPONSE: The large solvent-accessible void is consistent with the presence of 
disordered solvent molecules within the MOF channels.
;
