# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_F4_MIL-140A(Ce)-evacuated
_database_code_depnum_ccdc_archive 'CCDC 2212834'
loop_
_audit_author_name
_audit_author_address
'Marco Taddei'
;University of Pisa
Italy
;
_audit_update_record             
;
2022-10-13 deposited with the CCDC.	2023-02-10 downloaded from the CCDC.
;

#==============================================================================

# start Validation Reply Form
_vrf_PLAT342_F4_MIL-140A(Ce)-evacuated 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............      0.109 Ang.
RESPONSE: The compound loses some long-range order upon evacuation, leading to reduced data resolution. This primarily affects the precision of light atoms positions.
;
_vrf_PLAT601_F4_MIL-140A(Ce)-evacuated 
;
PROBLEM: Unit Cell Contains Solvent Accessible VOIDS of .         97 Ang**3
RESPONSE: This is the evacuated form of the compound and has accessible channels.
;
_vrf_PLAT741_F4_MIL-140A(Ce)-evacuated 
;
PROBLEM: Bond    Calc     1.39(5), Rep     1.39000 ......    Missing s.u.
RESPONSE: Atoms were refined as part of a rigid group
;
_vrf_PLAT742_F4_MIL-140A(Ce)-evacuated 
;
PROBLEM: Angle   Calc   119.8(18), Rep      120.00 ......    Missing s.u.
RESPONSE: Atoms were refined as part of a rigid group
;
_vrf_PLAT742_F4_MIL-140A(Ce)-evacuated_2 
;
PROBLEM: Angle   Calc      120(3), Rep      120.00 ......    Missing s.u.
RESPONSE: Atoms were refined as part of a rigid group
;
_vrf_PLAT742_F4_MIL-140A(Ce)-evacuated_3 
;
PROBLEM: Angle   Calc   119.8(18), Rep      120.00 ......    Missing s.u.
RESPONSE: Atoms were refined as part of a rigid group
;
_vrf_PLAT742_F4_MIL-140A(Ce)-evacuated_4 
;
PROBLEM: Angle   Calc      120(3), Rep      120.00 ......    Missing s.u.
RESPONSE: Atoms were refined as part of a rigid group
;
# end Validation Reply Form


#==============================================================================

_chemical_formula_moiety         CeO(O2C-C6F4-CO2)
_exptl_crystal_density_diffrn    2.23

_cell_measurement_temperature    298
_pd_char_colour                  yellow

#==============================================================================
_pd_phase_name                   F4_MIL-140A(Ce)_evacuated
_cell_length_a                   25.578(3)
_cell_length_b                   11.5086(11)
_cell_length_c                   8.1781(11)
_cell_angle_alpha                90
_cell_angle_beta                 103.985(16)
_cell_angle_gamma                90
_cell_volume                     2336.0(5)
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c
_symmetry_space_group_name_Hall  '-C 2yc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, y, -z+1/2 '
'x, -y, z+1/2 '
'-x, -y, -z '
'x+1/2, y+1/2, z '
'-x+1/2, y+1/2, -z+1/2 '
'x+1/2, -y+1/2, z+1/2 '
'-x+1/2, -y+1/2, -z '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Ce Ce 8 0.0586(3) 0.0140(8) 0.1680(14) 1 2.77(19)
O1 O 8 0.038(2) 0.007(10) 0.407(9) 1 2.4(5)
O2 O 8 0.123(3) 0.061(5) 0.308(9) 1 2.4(5)
O3 O 8 0.118(2) 0.101(5) 0.577(10) 1 2.4(5)
C1 C 8 0.142(4) 0.115(11) 0.451(14) 1 2.4(5)
C2 C 8 0.197(4) 0.189(10) 0.481(15) 1 2.4(5)
C3 C 8 0.232(5) 0.178(10) 0.355(14) 1 2.4(5)
C4 C 8 0.216(5) 0.236(9) 0.631(15) 1 2.4(5)
F1 F 8 0.215(2) 0.107(4) 0.213(6) 1 2.4(5)
F2 F 8 0.187(2) 0.225(5) 0.752(9) 1 2.4(5)
O4 O 8 0.038(3) -0.820(5) 0.194(11) 1 2.4(5)
O5 O 8 0.044(3) -0.196(5) 0.228(10) 1 2.4(5)
C5 C 4 0 -0.762(13) 0.25 1 2.4(5)
C6 C 4 0 -0.620(3) 0.25 1 2.4(5)
C7 C 8 0.04711(10) -0.560(3) 0.3206(12) 1 2.4(5)
C8 C 8 0.04711(10) -0.439(3) 0.3206(12) 1 2.4(5)
C9 C 4 0 -0.379(3) 0.25 1 2.4(5)
C10 C 4 0 -0.255(14) 0.25 1 2.4(5)
F3 F 8 0.09286(19) -0.619(3) 0.389(2) 1 2.4(5)
F4 F 8 0.09286(19) -0.381(3) 0.389(2) 1 2.4(5)


_chemical_formula_sum            'C8 Ce F4 O5'
_chemical_formula_weight         392.20
_cell_formula_units_Z            8

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ce O2 1.85(6) 1_555 1_555
Ce O4 2.00(6) 1_555 1_565
Ce O1 2.09(7) 1_555 3_554
Ce O1 2.14(7) 1_555 1_555
Ce O3 2.26(7) 1_555 3_554
Ce O1 2.40(5) 1_555 2_555
Ce O5 2.51(6) 1_555 1_555
O2 C1 1.31(13) 1_555 1_555
O3 C1 1.34(15) 1_555 1_555
C1 C2 1.61(15) 1_555 1_555
C2 C4 1.33(16) 1_555 1_555
C2 C3 1.53(18) 1_555 1_555
C3 F1 1.40(12) 1_555 1_555
C3 C4 1.63(16) 1_555 8_556
C4 C2 1.33(16) 1_555 1_555
C4 F2 1.40(15) 1_555 1_555
O4 C5 1.35(12) 1_555 1_555
C5 C6 1.63(16) 1_555 1_555
C6 C7 1.39000000000(12) 1_555 2_555
C7 F3 1.35000000000(2) 1_555 1_555
C7 C8 1.39000 1_555 1_555
C8 F4 1.350000000000(11) 1_555 1_555
C8 C9 1.390000000000(11) 1_555 1_555
C9 C10 1.41(16) 1_555 1_555
C10 O5 1.37(11) 1_555 2_555

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_2
_geom_angle_site_symmetry_3
O4 Ce O2 83(3) 1_565 1_555 1_555
O1 Ce O4 103(4) 3_554 1_555 1_565
O1 Ce O4 79(4) 1_555 1_555 1_565
O1 Ce O2 80(3) 1_555 1_555 1_555
O3 Ce O1 67(3) 3_554 1_555 3_554
O3 Ce O4 144(3) 3_554 1_555 1_565
O3 Ce O2 79(3) 3_554 1_555 1_555
O1 Ce O1 76(2) 2_555 1_555 1_555
O1 Ce O1 75(3) 2_555 1_555 3_554
O1 Ce O4 77(4) 2_555 1_555 1_565
O5 Ce O1 80(3) 1_555 1_555 2_555
O5 Ce O3 69(3) 1_555 1_555 3_554
O5 Ce O1 73(4) 1_555 1_555 1_555
O5 Ce O1 94(3) 1_555 1_555 3_554
O5 Ce O2 108(3) 1_555 1_555 1_555
Ce O1 Ce 152(3) 1_555 1_555 3_555
Ce O1 Ce 104(2) 2_555 1_555 1_555
Ce O1 Ce 105(3) 2_555 1_555 3_555
Ce O2 C1 140(7) 1_555 1_555 1_555
Ce O3 C1 142(7) 3_555 1_555 1_555
O3 C1 O2 120(10) 1_555 1_555 1_555
C2 C1 O3 120(9) 1_555 1_555 1_555
C2 C1 O2 120(10) 1_555 1_555 1_555
C3 C2 C4 120(10) 1_555 1_555 1_555
C2 C3 F1 119(9) 1_555 1_555 1_555
C4 C3 C2 120(9) 8_556 1_555 1_555
F2 C4 C2 118(10) 1_555 1_555 1_555
C3 C4 F2 125(9) 8_556 1_555 1_555
C3 C4 C2 116(11) 8_556 1_555 1_555
Ce O4 C5 138(8) 1_545 1_555 1_555
O4 C5 O4 120(12) 1_555 1_555 2_555
C6 C5 O4 120(6) 1_555 1_555 1_555
C7 C6 C7 120.000000000(3) 1_555 1_555 2_555
C5 C6 C7 120.000000000000(18) 1_555 1_555 1_555
C6 C7 F3 120.00000000000(4) 1_555 1_555 1_555
C8 C7 C6 120.000000000000(14) 1_555 1_555 1_555
C9 C8 F4 120.00000000000(4) 1_555 1_555 1_555
C7 C8 C9 120.0000000000(7) 1_555 1_555 1_555
C7 C8 F4 120.0000000000(14) 1_555 1_555 1_555
C8 C9 C8 120.000000000(5) 1_555 1_555 2_555
C10 C9 C8 120.0000000000(14) 1_555 1_555 1_555
O5 C10 O5 120(13) 1_555 1_555 2_555
C9 C10 O5 120(6) 1_555 1_555 1_555
Ce O5 C10 132(7) 1_555 1_555 1_555


#=============================================================================
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_computing_structure_refinement  TOPAS
_refine_ls_number_parameters     36
_refine_ls_goodness_of_fit_all   3.165

_pd_proc_ls_prof_R_factor        0.03616
_pd_proc_ls_prof_wR_factor       0.04851
_pd_proc_ls_prof_wR_expected     0.01533
_refine_ls_R_Fsqd_factor         0.02342

_diffrn_ambient_temperature      298
_diffrn_measurement_device       'Beamline P02.1 (PETRAIII - DESY)'
_diffrn_detector                 'Perkin Elmer XRD1621 CN3 - EHS'

loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_type
_diffrn_radiation_wavelength_id
0.207 1.000 Synchrotron 1
####################################################################### 
# 
# 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_F4_MIL-140A(Ce)-CO2_loaded
_database_code_depnum_ccdc_archive 'CCDC 2212835'
loop_
_audit_author_name
_audit_author_address
'Marco Taddei'
;University of Pisa
Italy
;
_audit_update_record             
;
2022-10-13 deposited with the CCDC.	2023-02-10 downloaded from the CCDC.
;

#=============================================================================

# start Validation Reply Form
_vrf_PLAT342_F4_MIL-140A(Ce)-CO2_loaded 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............      0.159 Ang.
RESPONSE: The compound loses some long-range order upon evacuation, leading to reduced data resolution. This primarily affects the precision of light atoms positions.
;
_vrf_PLAT041_F4_MIL-140A(Ce)-CO2_loaded 
;
PROBLEM: Calc. and Reported SumFormula    Strings  Differ     Please Check
RESPONSE: Probably due to C and O having non-integer indices.
;
_vrf_PLAT241_F4_MIL-140A(Ce)-CO2_loaded 
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of         O2 Check
RESPONSE: Refined ADP values for non-metallic atoms are higher than that of Ce, likely because of reduced resolution of data
;
_vrf_PLAT241_F4_MIL-140A(Ce)-CO2_loaded_2 
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of         O5 Check
RESPONSE: Refined ADP values for non-metallic atoms are higher than that of Ce, likely because of reduced resolution of data
;
_vrf_PLAT242_F4_MIL-140A(Ce)-CO2_loaded 
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of         Ce Check
RESPONSE: Refined ADP values for non-metallic atoms are higher than that of Ce, likely because of reduced resolution of data
;
_vrf_PLAT741_F4_MIL-140A(Ce)-CO2_loaded 
;
PROBLEM: Bond    Calc     1.39(6), Rep     1.39000 ......    Missing s.u.
RESPONSE: The atoms were refined as part of a rigid group
;
_vrf_PLAT742_F4_MIL-140A(Ce)-CO2_loaded 
;
PROBLEM: Angle   Calc      120(7), Rep      120.00 ......    Missing s.u.
RESPONSE: The atoms were refined as part of a rigid group
;
_vrf_PLAT742_F4_MIL-140A(Ce)-CO2_loaded_2 
;
PROBLEM: Angle   Calc      120(4), Rep      120.00 ......    Missing s.u.
RESPONSE: The atoms were refined as part of a rigid group
;
# end Validation Reply Form

#=============================================================================
_chemical_formula_moiety         CeO(O2C-C6F4-CO2)*0.9(CO2)
_exptl_crystal_density_diffrn    2.41

_cell_measurement_temperature    313
_pd_char_colour                  yellow

_pd_phase_name                   F4_MIL-140A(Ce)_CO2
_cell_length_a                   25.548(3)
_cell_length_b                   11.4958(13)
_cell_length_c                   8.1808(12)
_cell_angle_alpha                90
_cell_angle_beta                 97.675(13)
_cell_angle_gamma                90
_cell_volume                     2381.2(6)
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c
_symmetry_space_group_name_Hall  '-C 2yc'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z '
'-x, y, -z+1/2 '
'x, -y, z+1/2 '
'-x, -y, -z '
'x+1/2, y+1/2, z '
'-x+1/2, y+1/2, -z+1/2 '
'x+1/2, -y+1/2, z+1/2 '
'-x+1/2, -y+1/2, -z '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Ce Ce 8 0.0590(3) -0.0101(9) 0.1539(10) 1 1.19(15)
O1 O 8 0.039(2) -0.008(14) 0.385(8) 1 4.8(7)
O2 O 8 0.111(4) 0.107(8) 0.251(13) 1 4.8(7)
O3 O 8 0.124(3) 0.077(7) 0.604(12) 1 4.8(7)
C1 C 8 0.147(8) 0.124(17) 0.43(2) 1 4.8(7)
C2 C 8 0.198(6) 0.198(15) 0.45(2) 1 4.8(7)
C3 C 8 0.243(7) 0.160(12) 0.366(17) 1 4.8(7)
C4 C 8 0.205(6) 0.292(15) 0.57(2) 1 4.8(7)
F1 F 8 0.234(2) 0.058(5) 0.213(7) 1 4.8(7)
F2 F 8 0.160(3) 0.336(5) 0.648(8) 1 4.8(7)
O4 O 8 0.041(5) -0.808(10) 0.166(12) 1 4.8(7)
C5 C 4 0 -0.74(2) 0.25 1 4.8(7)
C6 C 4 0 -0.614(7) 0.25 1 4.8(7)
C7 C 8 0.04608(15) -0.553(7) 0.3054(17) 1 4.8(7)
C8 C 8 0.04608(15) -0.433(7) 0.3054(17) 1 4.8(7)
C9 C 4 0 -0.372(7) 0.25 1 4.8(7)
C10 C 4 0 -0.25(2) 0.25 1 4.8(7)
F3 F 8 0.0908(3) -0.612(7) 0.359(3) 1 4.8(7)
F4 F 8 0.0908(3) -0.374(7) 0.359(3) 1 4.8(7)
O5 O 8 0.029(5) -0.186(9) 0.130(12) 1 4.8(7)
C11 C 8 0.170(8) -0.207(18) 0.42(4) 0.9 11(3)
O6 O 8 0.136(7) -0.126(16) 0.43(3) 0.9 11(3)
O7 O 8 0.204(6) -0.287(12) 0.41(2) 0.9 11(3)

_chemical_formula_sum            'C8.9 Ce F4 O6.8'
_chemical_formula_weight         431.79
_cell_formula_units_Z            8

# MOLECULAR GEOMETRY

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ce O3 1.92(9) 1_555 3_554
Ce O2 1.98(9) 1_555 1_555
Ce O1 2.02(7) 1_555 1_555
Ce O5 2.16(11) 1_555 1_555
Ce O1 2.20(7) 1_555 3_554
Ce O4 2.38(11) 1_555 1_565
Ce O1 2.48(6) 1_555 2_555
Ce O6 3.08(19) 1_555 1_555
O2 C1 1.7(2) 1_555 1_555
O3 C1 1.7(2) 1_555 1_555
C1 C2 1.5(3) 1_555 1_555
C2 C4 1.5(3) 1_555 1_555
C2 C3 1.5(3) 1_555 1_555
C3 C4 1.5(2) 1_555 8_556
C3 F1 1.71(15) 1_555 1_555
C4 F2 1.47(18) 1_555 1_555
O4 C5 1.52(18) 1_555 1_555
C5 C6 1.5(3) 1_555 1_555
C6 C7 1.39000000000(14) 1_555 2_555
C7 F3 1.350000000000(16) 1_555 1_555
C7 C8 1.3900000000000(12) 1_555 1_555
C8 F4 1.35000000000(3) 1_555 1_555
C8 C9 1.39000 1_555 1_555
C9 C10 1.4(3) 1_555 1_555
C10 O5 1.51(17) 1_555 2_555
C11 O7 1.3(3) 1_555 1_555
C11 O6 1.3(3) 1_555 1_555

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_2
_geom_angle_site_symmetry_3
O2 Ce O3 79(4) 1_555 1_555 3_554
O1 Ce O2 82(4) 1_555 1_555 1_555
O1 Ce O3 122(4) 1_555 1_555 3_554
O5 Ce O1 88(5) 1_555 1_555 1_555
O5 Ce O2 152(4) 1_555 1_555 1_555
O5 Ce O3 85(4) 1_555 1_555 3_554
O1 Ce O5 88(5) 3_554 1_555 1_555
O1 Ce O1 152(3) 3_554 1_555 1_555
O1 Ce O2 113(4) 3_554 1_555 1_555
O1 Ce O3 85(4) 3_554 1_555 3_554
O4 Ce O1 86(5) 1_565 1_555 3_554
O4 Ce O5 148(4) 1_565 1_555 1_555
O4 Ce O1 83(5) 1_565 1_555 1_555
O4 Ce O2 56(4) 1_565 1_555 1_555
O4 Ce O3 126(4) 1_565 1_555 3_554
O1 Ce O4 78(5) 2_555 1_555 1_565
O1 Ce O1 77(3) 2_555 1_555 3_554
O1 Ce O5 70(5) 2_555 1_555 1_555
O1 Ce O1 75(2) 2_555 1_555 1_555
O1 Ce O2 131(4) 2_555 1_555 1_555
O1 Ce O3 150(4) 2_555 1_555 3_554
O6 Ce O1 129(4) 1_555 1_555 2_555
O6 Ce O4 120(4) 1_555 1_555 1_565
O6 Ce O1 144(5) 1_555 1_555 3_554
O6 Ce O5 81(4) 1_555 1_555 1_555
O6 Ce O1 63(5) 1_555 1_555 1_555
O6 Ce O2 71(4) 1_555 1_555 1_555
O6 Ce O3 60(5) 1_555 1_555 3_554
Ce O1 Ce 152(3) 3_555 1_555 1_555
Ce O1 Ce 103(3) 2_555 1_555 3_555
Ce O1 Ce 105(2) 2_555 1_555 1_555
Ce O2 C1 135(9) 1_555 1_555 1_555
Ce O3 C1 136(8) 3_555 1_555 1_555
O2 C1 C2 120(14) 1_555 1_555 1_555
O3 C1 O2 120(13) 1_555 1_555 1_555
O3 C1 C2 120(13) 1_555 1_555 1_555
C3 C2 C4 120(13) 1_555 1_555 1_555
C1 C2 C3 120(15) 1_555 1_555 1_555
C1 C2 C4 120(15) 1_555 1_555 1_555
C2 C3 C4 117(13) 1_555 1_555 8_556
F1 C3 C2 121(12) 1_555 1_555 1_555
F1 C3 C4 122(14) 1_555 1_555 8_556
F2 C4 C3 118(14) 1_555 1_555 8_556
C2 C4 F2 120(12) 1_555 1_555 1_555
C2 C4 C3 123(15) 1_555 1_555 8_556
Ce O4 C5 131(10) 1_545 1_555 1_555
O4 C5 C6 120(9) 2_555 1_555 1_555
O4 C5 O4 120(19) 1_555 1_555 2_555
C7 C6 C7 120.000000000(3) 1_555 1_555 2_555
C5 C6 C7 120.0000000000(10) 1_555 1_555 1_555
C5 C6 C7 120.000000000(4) 1_555 1_555 2_555
C8 C7 F3 120.000000000(2) 1_555 1_555 1_555
C6 C7 C8 120.000000000(2) 1_555 1_555 1_555
C6 C7 F3 120.00000000000(8) 1_555 1_555 1_555
C9 C8 F4 120.000000000(2) 1_555 1_555 1_555
C7 C8 C9 120.000000000000(19) 1_555 1_555 1_555
C7 C8 F4 120.0000000000(10) 1_555 1_555 1_555
C8 C9 C10 120.000000000(2) 2_555 1_555 1_555
C8 C9 C8 120.000000000(2) 1_555 1_555 2_555
O5 C10 C9 120(10) 2_555 1_555 1_555
O5 C10 O5 120(19) 1_555 1_555 2_555
Ce O5 C10 127(10) 1_555 1_555 1_555
O6 C11 O7 180(30) 1_555 1_555 1_555


#==============================================================================
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_computing_structure_refinement  TOPAS
_refine_ls_number_parameters     37
_refine_ls_goodness_of_fit_all   3.375

_pd_proc_ls_prof_R_factor        0.03994
_pd_proc_ls_prof_wR_factor       0.05226
_pd_proc_ls_prof_wR_expected     0.01548
_refine_ls_R_Fsqd_factor         0.02442


_diffrn_ambient_temperature      313
_diffrn_measurement_device       'Beamline P02.1 (PETRAIII - DESY)'
_diffrn_detector                 'Perkin Elmer XRD1621 CN3 - EHS'

loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_wt
_diffrn_radiation_type
_diffrn_radiation_wavelength_id
0.207 1.000 Synchrotron 1
#==============================================================================

# start Validation Reply Form
_vrf_PLAT342_F4_MIL-140ACe-evacuated 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............      0.109 Ang.  
RESPONSE: The compound loses some long-range order upon activation, leading to reduced resolution. 
This primarily affects the precision of light atoms positions.
;

_vrf_PLAT342_F4_MIL-140ACe-CO2_loaded 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............      0.159 Ang.  
RESPONSE: The compound loses some long-range order upon activation, leading to reduced resolution. 
This primarily affects the precision of light atoms positions.
;
