LMucko/crystallography-open-database huggingface dataset:
Structural study of an unusually large molecular solid from powder diffraction: the sequential unravelling of hydrogen bonding and van der Waals interactions contributing to the Z′ = 2 crystal packing of amcinonide
Pagola, Silvina; Stephens, Peter W.; CrystEngComm 14 (2012) 5349–; doi:10.1039/c2ce25274k

data_7208238
_publ_section_title
;
 Structural study of an unusually large molecular solid from powder
 diffraction: the sequential unravelling of hydrogen bonding and van der
 Waals interactions contributing to the Z&#x2032; = 2 crystal packing of
 amcinonide
;
_journal_issue                   16
_journal_name_full               CrystEngComm
_journal_page_first              5349
_journal_paper_doi               10.1039/c2ce25274k
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C28 H35 F O7'
_chemical_formula_sum            'C28 H35 F O7'
_chemical_formula_weight         502.56
_chemical_name_common
;
2-((1S,2S,4R,8S,9S,11S,12R,13S)-12'-fluoro-11'-hydroxy-9',13'-
dimethyl -16'-oxo-5',7'-dioxaspiro(cyclopentane-1,6'-pentacyclo
(10.8.0.02,9.04,8.013,18)icosane)-14',17'-dien-8'-yl)-2-oxoethyl acetate
;
_chemical_name_systematic
; 2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12'-fluoro-11'-hydroxy-9',13'-dimethyl
-16'-oxo-5',7'-dioxaspiro[cyclopentane-1,6'-pentacyclo
[10.8.0.02,9.04,8.013,18]icosane]-14',17'-dien-8'-yl]-2-oxoethyl acetate
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 94.104(1)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   15.7400(4)
_cell_length_b                   15.1252(4)
_cell_length_c                   10.9849(3)
_cell_measurement_temperature    298
_cell_volume                     2608.48(12)
_computing_publication_material  'Mercury 2.3'
_computing_structure_refinement  GSAS
_computing_structure_solution    PSSP
_diffrn_ambient_temperature      298
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.69733
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_F_000             1072.0
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  white
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_prof_wR_factor       0.0557
_refine_ls_goodness_of_fit_all   1.46
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    2
_refine_ls_number_parameters     461
_refine_ls_number_restraints     456
_refine_ls_R_I_factor            0.0611
_refine_ls_shift/su_max          0.12
_refine_ls_shift/su_mean         0.02
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            c2ce25274k.txt
_cod_data_source_block           amcinonide
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7208238
4-Methylpseudoproline derived from α-methylserine - synthesis and conformational studies.
Katarzyńska, Joanna; Mazur, Adam; Wolf, Wojciech M.; Teat, Simon J.; Jankowski, Stefan; Leplawy, Mirosław T; Zabrocki, Janusz; Organic & biomolecular chemistry 10 (2012) 6705–6716; doi:10.1039/c2ob25732g

data_7152520
_publ_section_title
;
 4-Methylpseudoproline derived from \a-methylserine - synthesis and
 conformational studies.
;
_journal_issue                   33
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              6705
_journal_page_last               6716
_journal_paper_doi               10.1039/c2ob25732g
_journal_volume                  10
_journal_year                    2012
_chemical_compound_source
;
Dipeptide synthesized according to Mutters procedure
followed by acylation with the Fmoc alanine fluoride.
;
_chemical_formula_moiety         'C30 H37 N3 O7'
_chemical_formula_sum            'C60 H74 N6 O14'
_chemical_formula_weight         1103.25
_chemical_melting_point          360(2)
_chemical_name_systematic
;
Fmoc-Ala-(R)-MeSer(psipro)-Ala-OtBu
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 123.084(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   38.885(2)
_cell_length_b                   7.5009(4)
_cell_length_c                   24.1696(13)
_cell_measurement_temperature    100(2)
_cell_volume                     5906.7(6)
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_description       very
_exptl_crystal_preparation
;
slow evaporation of the ethanol water 5:1 mixture
;
_refine_ls_abs_structure_details
;
Absolute configuration has not been determined
;
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0608
_refine_ls_wR_factor_gt          0.1712
_refine_ls_wR_factor_ref         0.1763
_cod_data_source_file            c2ob25732g.txt
_cod_data_source_block           1
_cod_original_cell_volume        5906.7(5)
_cod_database_code               7152520
Combining piracetam and lithium salts: ionic co-crystals and co-drugs?
Dario Braga; Fabrizia Grepioni; Lucia Maini; Davide Capucci; Saverio Nanna; Johan Wouters; Luc Aerts; Luc Quere; Chem.Commun. 48 (2012) 8219–; doi:10.1039/c2cc33855f

data_7108158
_publ_section_title
;
 Combining piracetam and lithium salts: ionic co-crystals and co-drugs?
;
_journal_name_full               Chem.Commun.
_journal_page_first              8219
_journal_paper_doi               10.1039/c2cc33855f
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety         'C6 H10 N2 O2 Li1 Cl1'
_chemical_formula_sum            'C6 H10 Cl Li N2 O2'
_chemical_formula_weight         184.549
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.8548(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.1230(1)
_cell_length_b                   12.1788(2)
_cell_length_c                   8.1089(2)
_cell_volume                     881.74(3)
_computing_cell_refinement       'Topas (Coelho ,2007)'
_computing_data_collection       'Highscore plus'
_computing_structure_refinement  'Topas (Coelho ,2007)'
_computing_structure_solution    'DASH (David, Shankland, 2006)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
X'pert in Debye-Scherrer geometry
;
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54060
_pd_proc_2theta_range_max        90
_pd_proc_2theta_range_min        5
_pd_proc_info_excluded_regions   no
_pd_proc_ls_background_function  Chebyschev
_pd_proc_ls_pref_orient_corr
;
Spherical Harmonics
;
_pd_proc_ls_prof_R_factor        0.022
_pd_proc_ls_prof_wR_expected     0.017
_pd_proc_ls_prof_wR_factor       0.029
_pd_spec_mounting
;
0.5 mm borosilicate glass capillary
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_hydrogen_treatment    constr
_cod_data_source_file            c2cc33855f.txt
_cod_data_source_block           PirLiCl
_cod_original_cell_volume        881.7438
_cod_original_sg_symbol_H-M      'P 121/n 1'
_cod_original_formula_sum        'C6 H10 N2 O2 Li1 Cl1'
_cod_database_code               7108158
The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology
Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson; Chem.Commun. 48 (2012) 5829–; doi:10.1039/c2cc30582h

data_7108282
_publ_section_title
;
 The effect of extra framework species on the intrinsic negative thermal
 expansion property of zeolites with the LTA topology
;
_journal_name_full               Chem.Commun.
_journal_page_first              5829
_journal_paper_doi               10.1039/c2cc30582h
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'Ag71.89 Al96 O466.81 Si96'
_chemical_formula_weight         20509.49
_chemical_name_mineral           Ag_zeolite_A
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.597000(42)
_cell_length_b                   24.597000(42)
_cell_length_c                   24.597000(42)
_cell_volume                     14881.49(4)
_exptl_crystal_density_diffrn    2.2887
_exptl_crystal_density_method    'not measured'
_cod_data_source_file            c2cc30582h_3.txt
_cod_data_source_block           Ag_Zeolite_A_300K
_cod_original_cell_volume        14881.490(77)
_cod_original_sg_symbol_H-M      Fm-3c
_cod_original_formula_sum        'Ag71.89 Si96 Al96 O466.81'
_cod_database_code               7108282
The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology
Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson; Chem.Commun. 48 (2012) 5829–; doi:10.1039/c2cc30582h

data_7108283
_publ_section_title
;
 The effect of extra framework species on the intrinsic negative thermal
 expansion property of zeolites with the LTA topology
;
_journal_name_full               Chem.Commun.
_journal_page_first              5829
_journal_paper_doi               10.1039/c2cc30582h
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'Ag71.568 Al96 O469.91 Si96'
_chemical_formula_weight         20523.64
_chemical_name_mineral           Ag_zeolite_A?
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.591620(46)
_cell_length_b                   24.591620(46)
_cell_length_c                   24.591620(46)
_cell_volume                     14871.73(5)
_exptl_crystal_density_diffrn    2.29186
_exptl_crystal_density_method    'not measured'
_cod_data_source_file            c2cc30582h_3.txt
_cod_data_source_block           Ag_Zeolite_A_280K
_cod_original_cell_volume        14871.727(83)
_cod_original_sg_symbol_H-M      Fm-3c
_cod_original_formula_sum        'Ag71.568 Si96 Al96 O469.91'
_cod_database_code               7108283
The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology
Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson; Chem.Commun. 48 (2012) 5829–; doi:10.1039/c2cc30582h

data_7108284
_publ_section_title
;
 The effect of extra framework species on the intrinsic negative thermal
 expansion property of zeolites with the LTA topology
;
_journal_name_full               Chem.Commun.
_journal_page_first              5829
_journal_paper_doi               10.1039/c2cc30582h
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'Ag71.14 Al96 O464.45 Si96'
_chemical_formula_weight         20390.12
_chemical_name_mineral           Ag_zeolite_A
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.590180(47)
_cell_length_b                   24.590180(47)
_cell_length_c                   24.590180(47)
_cell_volume                     14869.12(5)
_exptl_crystal_density_diffrn    2.27735
_exptl_crystal_density_method    'not measured'
_cod_data_source_file            c2cc30582h_3.txt
_cod_data_source_block           Ag_Zeolite_A_260K
_cod_original_cell_volume        14869.115(85)
_cod_original_sg_symbol_H-M      Fm-3c
_cod_original_formula_sum        'Ag71.14 Si96 Al96 O464.45'
_cod_database_code               7108284
The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology
Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson; Chem.Commun. 48 (2012) 5829–; doi:10.1039/c2cc30582h

data_7108285
_publ_section_title
;
 The effect of extra framework species on the intrinsic negative thermal
 expansion property of zeolites with the LTA topology
;
_journal_name_full               Chem.Commun.
_journal_page_first              5829
_journal_paper_doi               10.1039/c2cc30582h
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'Ag69.76 Al96 O471.42 Si96'
_chemical_formula_weight         20352.79
_chemical_name_mineral           Ag_zeolite_A
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.593430(48)
_cell_length_b                   24.593430(48)
_cell_length_c                   24.593430(48)
_cell_volume                     14875.01(5)
_exptl_crystal_density_diffrn    2.27228
_exptl_crystal_density_method    'not measured'
_cod_data_source_file            c2cc30582h_3.txt
_cod_data_source_block           Ag_Zeolite_A_240K
_cod_original_cell_volume        14875.011(87)
_cod_original_sg_symbol_H-M      Fm-3c
_cod_original_formula_sum        'Ag69.76 Si96 Al96 O471.42'
_cod_database_code               7108285
The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology
Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson; Chem.Commun. 48 (2012) 5829–; doi:10.1039/c2cc30582h

data_7108286
_publ_section_title
;
 The effect of extra framework species on the intrinsic negative thermal
 expansion property of zeolites with the LTA topology
;
_journal_name_full               Chem.Commun.
_journal_page_first              5829
_journal_paper_doi               10.1039/c2cc30582h
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'Ag69.45 Al96 O473.69 Si96'
_chemical_formula_weight         20355.68
_chemical_name_mineral           Ag_zeolite_A
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.599470(53)
_cell_length_b                   24.599470(53)
_cell_length_c                   24.599470(53)
_cell_volume                     14885.97(6)
_exptl_crystal_density_diffrn    2.27093
_exptl_crystal_density_method    'not measured'
_cod_data_source_file            c2cc30582h_3.txt
_cod_data_source_block           Ag_Zeolite_A_220K
_cod_original_cell_volume        14885.974(97)
_cod_original_sg_symbol_H-M      Fm-3c
_cod_original_formula_sum        'Ag69.45 Si96 Al96 O473.69'
_cod_database_code               7108286
The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology
Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson; Chem.Commun. 48 (2012) 5829–; doi:10.1039/c2cc30582h

data_7108287
_publ_section_title
;
 The effect of extra framework species on the intrinsic negative thermal
 expansion property of zeolites with the LTA topology
;
_journal_name_full               Chem.Commun.
_journal_page_first              5829
_journal_paper_doi               10.1039/c2cc30582h
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'Ag68.05 Al96 O476.24 Si96'
_chemical_formula_weight         20245.47
_chemical_name_mineral           Ag_zeolite_A
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.596190(57)
_cell_length_b                   24.596190(57)
_cell_length_c                   24.596190(57)
_cell_volume                     14880.02(6)
_exptl_crystal_density_diffrn    2.25953
_exptl_crystal_density_method    'not measured'
_cod_data_source_file            c2cc30582h_3.txt
_cod_data_source_block           Ag_Zeolite_A_200K
_cod_original_cell_volume        14880.02(10)
_cod_original_sg_symbol_H-M      Fm-3c
_cod_original_formula_sum        'Ag68.05 Si96 Al96 O476.24'
_cod_database_code               7108287
The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology
Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson; Chem.Commun. 48 (2012) 5829–; doi:10.1039/c2cc30582h

data_7108288
_publ_section_title
;
 The effect of extra framework species on the intrinsic negative thermal
 expansion property of zeolites with the LTA topology
;
_journal_name_full               Chem.Commun.
_journal_page_first              5829
_journal_paper_doi               10.1039/c2cc30582h
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'Ag67.94 Al96 O477.46 Si96'
_chemical_formula_weight         20253.29
_chemical_name_mineral           Ag_zeolite_A
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.585470(57)
_cell_length_b                   24.585470(57)
_cell_length_c                   24.585470(57)
_cell_volume                     14860.57(6)
_exptl_crystal_density_diffrn    2.26335
_exptl_crystal_density_method    'not measured'
_cod_data_source_file            c2cc30582h_3.txt
_cod_data_source_block           Ag_Zeolite_A_180K
_cod_original_cell_volume        14860.57(10)
_cod_original_sg_symbol_H-M      Fm-3c
_cod_original_formula_sum        'Ag67.94 Si96 Al96 O477.46'
_cod_database_code               7108288
The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology
Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson; Chem.Commun. 48 (2012) 5829–; doi:10.1039/c2cc30582h

data_7108289
_publ_section_title
;
 The effect of extra framework species on the intrinsic negative thermal
 expansion property of zeolites with the LTA topology
;
_journal_name_full               Chem.Commun.
_journal_page_first              5829
_journal_paper_doi               10.1039/c2cc30582h
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'Ag67.63 Al96 O474.72 Si96'
_chemical_formula_weight         20175,85
_chemical_name_mineral           Ag_zeolite_A
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.577010(57)
_cell_length_b                   24.577010(57)
_cell_length_c                   24.577010(57)
_cell_volume                     14845.24(6)
_exptl_crystal_density_diffrn    2.25704
_exptl_crystal_density_method    'not measured'
_cod_data_source_file            c2cc30582h_3.txt
_cod_data_source_block           Ag_Zeolite_A_160K
_cod_original_cell_volume        14845.24(10)
_cod_original_sg_symbol_H-M      Fm-3c
_cod_original_formula_sum        'Ag67.63 Si96 Al96 O474.72'
_cod_database_code               7108289
The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology
Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson; Chem.Commun. 48 (2012) 5829–; doi:10.1039/c2cc30582h

data_7108290
_publ_section_title
;
 The effect of extra framework species on the intrinsic negative thermal
 expansion property of zeolites with the LTA topology
;
_journal_name_full               Chem.Commun.
_journal_page_first              5829
_journal_paper_doi               10.1039/c2cc30582h
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'Ag68.26 Al96 O476.17 Si96'
_chemical_formula_weight         20267.00
_chemical_name_mineral           Ag_zeolite_A
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.570440(56)
_cell_length_b                   24.570440(56)
_cell_length_c                   24.570440(56)
_cell_volume                     14833.33(6)
_exptl_crystal_density_diffrn    2.26906
_exptl_crystal_density_method    'not measured'
_cod_data_source_file            c2cc30582h_3.txt
_cod_data_source_block           Ag_Zeolite_A_140K
_cod_original_cell_volume        14833.33(10)
_cod_original_sg_symbol_H-M      Fm-3c
_cod_original_formula_sum        'Ag68.26 Si96 Al96 O476.17'
_cod_database_code               7108290
The effect of extra framework species on the intrinsic negative thermal expansion property of zeolites with the LTA topology
Thomas Carey; Avelino Corma; Fernando Rey; Chiu C. Tang; Joseph A. Hriljac; Paul A. Anderson; Chem.Commun. 48 (2012) 5829–; doi:10.1039/c2cc30582h

data_7108291
_publ_section_title
;
 The effect of extra framework species on the intrinsic negative thermal
 expansion property of zeolites with the LTA topology
;
_journal_name_full               Chem.Commun.
_journal_page_first              5829
_journal_paper_doi               10.1039/c2cc30582h
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'Ag67.88 Al96 O474.92 Si96'
_chemical_formula_weight         20.206.02
_chemical_name_mineral           Ag_zeolite_A
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.564570(56)
_cell_length_b                   24.564570(56)
_cell_length_c                   24.564570(56)
_cell_volume                     14822.71(6)
_exptl_crystal_density_diffrn    2.26385
_exptl_crystal_density_method    'not measured'
_cod_data_source_file            c2cc30582h_3.txt
_cod_data_source_block           Ag_Zeolite_A_120K
_cod_original_cell_volume        14822.71(10)
_cod_original_sg_symbol_H-M      Fm-3c
_cod_original_formula_sum        'Ag67.88 Si96 Al96 O474.92'
_cod_database_code               7108291