# Electronic Supplementary Material (ESI) for Materials Advances.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY
_database_code_depnum_ccdc_archive 'CCDC 2046409'
loop_
_audit_author_name
_audit_author_address
'Aleksandra Polrolniczak'
;Adam Mickiewicz University
Poland
;
_audit_update_record             
;
2020-11-25 deposited with the CCDC.	2021-05-21 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_DIFF003_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _diffrn_measurement_device_type is missing
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_ATOM002_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _atom_site_label is missing
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_ATOM003_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _atom_site_fract_x is missing
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_ATOM004_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _atom_site_fract_y is missing
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_ATOM005_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _atom_site_fract_z is missing
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_TYPE100_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _atom_site_label is not of type char.
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_TYPE101_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _atom_site_fract_x is not of type numb.
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_TYPE102_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _atom_site_fract_y is not of type numb.
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_TYPE103_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _atom_site_fract_z is not of type numb.
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_ATOM007_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _atom_site_aniso_label is missing
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_GEOM001_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _geom_bond_atom_site_label_1 is missing
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_GEOM002_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _geom_bond_atom_site_label_2 is missing
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_GEOM003_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _geom_bond_distance is missing
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_GEOM006_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _geom_angle_atom_site_label_2 is missing
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
_vrf_GEOM007_Cd(BDC)(AZPY)DMF_1_4_GPa_GLY 
;
PROBLEM: _geom_angle_atom_site_label_3 is missing
RESPONSE: With increasing pressure the sample became amorphous, due to makes it impossible to obtain all structural data.
;
# Added during the CSD deposition process: Wednesday 25 November 2020 12:12 PM
# end Validation Reply Form

_audit_creation_date             2020-10-13
_chemical_name_common            AMU3
_chemical_name_systematic        Cd(BDC)(AZPY)*DMF
_chemical_formula_moiety         'C18 H12 Cd N4 O4'
_chemical_formula_sum            'C18 H12 Cd N4 O4'
_chemical_formula_weight         460.72
_chemical_melting_point          ?
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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                   12.177(7)
_cell_length_b                   13.957(9)
_cell_length_c                   12.601(7)
_cell_angle_alpha                90
_cell_angle_beta                 113.52(6)
_cell_angle_gamma                90
_cell_volume                     1964(3)
_cell_formula_units_Z            4
loop_
_exptl_crystal_colour
orange
_exptl_crystal_description       plate
_exptl_crystal_preparation       'mounted in a diamond-anvil cell '
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.127
_exptl_crystal_size_min          0.063
_exptl_special_details           
;
 Data were collected at room temperature and pressure of 1.40(2) GPa
 (1400000 kPa).
 Pressure was determined by monitoring the shift of the ruby R1-fluorescence line.
;
