LMucko/crystallography-open-database huggingface dataset:
Synthesis, photoluminescence, catalysis and multilayer film assembly of an ethynylpyridine platinum compound
Li, Xing; Zha, Mei-Qin; Gao, Shui-Ying; Low, Paul J.; Wu, Yuan-Zhao; Gan, Ning; Cao, Rong; CrystEngComm 13 (2011) 920–; doi:10.1039/c0ce00382d

data_7205344
_publ_section_title
;
 Synthesis, photoluminescence, catalysis and multilayer film assembly
 of an ethynylpyridine platinum compound
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              920
_journal_paper_doi               10.1039/c0ce00382d
_journal_volume                  13
_journal_year                    2011
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C40 H32 N2 P2 Pt'
_chemical_formula_sum            'C40 H32 N2 P2 Pt'
_chemical_formula_weight         797.71
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.98(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.8507(7)
_cell_length_b                   21.4219(7)
_cell_length_c                   9.0526(5)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      1.54
_cell_volume                     3273.5(5)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        30.00
_refine_diff_density_max         1.488
_refine_diff_density_min         -1.541
_refine_diff_density_rms         0.127
_cod_data_source_file            C0CE00382D.TXT
_cod_data_source_block           s157
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        3273.5(2)
_cod_original_sg_symbol_Hall     'C -2yc '
_cod_original_sg_symbol_H-M      'C 1 c 1 '
_cod_database_code               7205344
Room-Temperature Synthesis and Crystal, Magnetic, and Electronic Structure of the First Silver Copper Oxide
Eva M. Tejada-Rosales; Juan Rodríguez-Carvajal; Nieves Casañ-Pastor; Pere Alemany; Eliseo Ruiz; M. Salah El-Fallah; Santiago Alvarez; Pedro Gómez-Romero; Inorganic Chemistry 41 (2002) 6604–6613; doi:10.1021/ic025872b

data_4319054
_publ_section_title
;
 Room-Temperature Synthesis and Crystal, Magnetic, and Electronic
 Structure of the First Silver Copper Oxide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6604
_journal_page_last               6613
_journal_paper_doi               10.1021/ic025872b
_journal_volume                  41
_journal_year                    2002
_chemical_formula_moiety         Ag2Cu2O3
_chemical_formula_sum            'Ag2 Cu2 O3'
_chemical_formula_weight         390.84
_chemical_name_systematic
;
  Silver(I) copper(II) oxide
;
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_audit_creation_method           FULLPROF
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.8862(2)
_cell_length_b                   5.8862(2)
_cell_length_c                   10.6892(4)
_cell_measurement_temperature    298
_cell_volume                     370.35(2)
_computing_structure_refinement  FULLPROF-99
_computing_structure_solution    FULLPROF-99
_diffrn_ambient_temperature      298
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.01
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       powder
_cod_data_source_file            ic025872b.cif
_cod_data_source_block           Ag2Cu2O3
_cod_original_cell_volume        370.35
_cod_original_sg_symbol_Hall     -I_4bd_2
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        Ag2Cu2O3
_cod_database_code               4319054
An Additional Structural and Electrical Study of Polymeric Haloplumbates(II) with Heterocyclic Diprotonated Amines
Anna Bonamartini Corradi; Anna Maria Ferrari; Lara Righi; Paolo Sgarabotto; Inorganic Chemistry 40 (2001) 218–223; doi:10.1021/ic000319k

data_4319140
_publ_section_title
;
 An Additional Structural and Electrical Study of Polymeric
 Haloplumbates(II) with Heterocyclic Diprotonated Amines
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              218
_journal_page_last               223
_journal_paper_doi               10.1021/ic000319k
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C6 H16 Br4 N2 Pb'
_chemical_formula_weight         643.02
_space_group_IT_number           4
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00(0)
_cell_angle_beta                 98.6(1)
_cell_angle_gamma                90.0(0)
_cell_formula_units_Z            2.00
_cell_length_a                   6.101(2)
_cell_length_b                   18.822(3)
_cell_length_c                   6.229(2)
_cell_measurement_radiation      X
_cell_measurement_reflns_used    30
_cell_measurement_temperature    298
_cell_measurement_theta_max      25
_cell_measurement_theta_min      15
_cell_measurement_wavelength     0.71069
_cell_volume                     707.3(4)
_diffrn_ambient_temperature      298
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         Mo
_diffrn_radiation_type           X
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    23.1935
_exptl_absorpt_correction_type   'Walker and Stuart'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.0195
_exptl_crystal_description       prism
_exptl_crystal_F_000             576.0
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_refine_ls_number_parameters     77
_refine_ls_number_reflns         1352
_refine_ls_restrained_S_obs      0.255
_refine_ls_R_factor_gt           0.029
_refine_ls_wR_factor_ref         0.031
_reflns_number_total             2294
_cod_data_source_file            ic000319k_2.cif
_cod_data_source_block           (me2pipzH2)[PbBr4]
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-19

 Removing atoms 'Br21' and 'Br41' since they are symmetrical equivalents
 of atoms 'Br2' and 'Br4' respectively.

 The following information was removed:
 # _atom_site loop:
 # Br21 0.6605(2) -0.1500(5) 0.0097(2) 0.0400(6) Uani Br . 1 .
 # Br41 0.2065(2) -0.1516(5) -0.4936(2) 0.0285(4) Uani Br . 1 .
 # _atom_site_aniso loop:
 # Br21 0.0217(6) 0.0646(14) 0.0316(7) 0.0128(27) -0.0029(5) 0.0044(26)
 # Br41 0.0334(7) 0.0375(7) 0.0132(5) -0.0067(27) -0.0013(4) -0.0033(29)

 Antanas Vaitkus,
 2017-02-17
;
_cod_original_cell_volume        707.2(4)
_cod_original_sg_symbol_H-M      ' P 21 '
_cod_original_formula_sum        'Pb1 Br4 N2 C6 H16 '
_cod_database_code               4319140
An Additional Structural and Electrical Study of Polymeric Haloplumbates(II) with Heterocyclic Diprotonated Amines
Anna Bonamartini Corradi; Anna Maria Ferrari; Lara Righi; Paolo Sgarabotto; Inorganic Chemistry 40 (2001) 218–223; doi:10.1021/ic000319k

data_4319142
_publ_section_title
;
 An Additional Structural and Electrical Study of Polymeric
 Haloplumbates(II) with Heterocyclic Diprotonated Amines
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              218
_journal_page_last               223
_journal_paper_doi               10.1021/ic000319k
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C33 H58 Br10 N6 O2 Pb2'
_chemical_formula_weight         1784.30
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00(0)
_cell_angle_beta                 94.3(1)
_cell_angle_gamma                90.0(0)
_cell_formula_units_Z            4.00
_cell_length_a                   22.380(4)
_cell_length_b                   9.302(2)
_cell_length_c                   24.586(4)
_cell_measurement_radiation      X
_cell_measurement_reflns_used    30
_cell_measurement_temperature    298
_cell_measurement_theta_max      25
_cell_measurement_theta_min      15
_cell_measurement_wavelength     0.7106
_cell_volume                     5103.9(18)
_diffrn_ambient_temperature      298
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         Mo
_diffrn_radiation_type           X
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    14.4516
_exptl_absorpt_correction_type   'Walker and Stuart'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.3221
_exptl_crystal_description       prism
_exptl_crystal_F_000             3312.0
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.14
_refine_ls_number_parameters     478
_refine_ls_number_reflns         3096
_refine_ls_restrained_S_obs      0.242
_refine_ls_R_factor_gt           0.030
_refine_ls_shift/su_max          0.275
_refine_ls_wR_factor_ref         0.032
_reflns_number_total             13333
_cod_data_source_file            ic000319k_5.cif
_cod_data_source_block           (benzpipzH2)3[Pb2Br10]*2H2O
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-19

 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-02-17
;
_cod_original_cell_volume        5104.(2)
_cod_original_sg_symbol_H-M      ' P 21/c '
_cod_original_formula_sum        'Pb2 Br10 N6 C33 H58 O2 '
_cod_database_code               4319142
Sodium magnesium amidoborane: the first mixed-metal amidoborane
Hui Wu; Wei Zhou; Frederick E.Pinkerton; Martin S.Meyer; Qingrong Yao; Srinivas Gadipelli; Terrence J.Udovic; Taner Yildirim; John J. Rush; Chem.Commun. 47 (2011) 4102–; doi:10.1039/c0cc05814a

data_7106210
_publ_section_title
;
 Sodium magnesium amidoborane: the first mixed-metal amidoborane
;
_journal_name_full               Chem.Commun.
_journal_page_first              4102
_journal_paper_doi               10.1039/c0cc05814a
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'B4 H20 Mg N4 Na2'
_chemical_formula_weight         189.71
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.4114(7)
_cell_length_b                   9.4114
_cell_length_c                   12.7128(12)
_cell_measurement_temperature    298
_cell_volume                     1126.03(14)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  x-ray
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_wavelength_wt  1.00
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        74.98
_pd_meas_2theta_range_min        8.0
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        74.9933
_pd_proc_2theta_range_min        8.0133
_pd_proc_ls_prof_R_factor        0.0704
_pd_proc_ls_prof_wR_factor       0.0825
_refine_ls_goodness_of_fit_all   1.014
_refine_ls_matrix_type           full
_refine_ls_R_Fsqd_factor         0.07013
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.02
_reflns_d_resolution_high        1.269
_reflns_d_resolution_low         7.568
_reflns_limit_h_max              7
_reflns_limit_h_min              0
_reflns_limit_k_max              7
_reflns_limit_k_min              0
_reflns_limit_l_max              10
_reflns_limit_l_min              0
_reflns_number_total             324
_cod_data_source_file            c0cc05814a.txt
_cod_data_source_block           NaMgBNH_RT
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_angle_publ_flag' value 'N' changed to 'n' according to the
built-in table from CIF Core dictionary named 'cif_core.dic' version
2.4.1 from 2010-06-29 (12 times).

'_geom_bond_publ_flag' value 'N'
changed to 'n' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (27
times).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1126.04(13)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               7106210
Cooperative Spin Crossover Behavior in Cyanide-Bridged Fe(II)-M(II) Bimetallic 3D Hofmann-like Networks (M = Ni, Pd, and Pt)
Virginie Niel; José María Martinez-Agudo; M. Carmen Muñoz; Ana Belén Gaspar; José Antonio Real; Inorganic Chemistry 40 (2001) 3838–3839; doi:10.1021/ic010259y

data_4320033
_publ_contact_author             'Jos\'e Antonio Real'
_publ_contact_author_email       jose.a.real@uv.es
_publ_contact_author_fax         963864322
_publ_contact_author_phone       963864856
_publ_section_title
;
 Cooperative Spin Crossover Behavior in Cyanide-Bridged Fe(II)-M(II)
 Bimetallic 3D Hofmann-like Networks (M = Ni, Pd, and Pt)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3838
_journal_page_last               3839
_journal_paper_doi               10.1021/ic010259y
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C8 Fe N6 O2 Pt'
_space_group_IT_number           83
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4'
_symmetry_space_group_name_H-M   'P 4/m'
_audit_creation_date             2001-02-23T18:59
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2001-02-23T18:59:23   Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   7.4144(5)
_cell_length_b                   7.4144
_cell_length_c                   7.2141(6)
_cell_volume                     396.58(4)
_computing_structure_refinement  GSAS
_diffrn_radiation_polarisn_ratio .0
_pd_block_id                     2001-02-23T18:59|PHASE_1||
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_2theta_range_inc        .02
_pd_meas_2theta_range_max        79.98
_pd_meas_2theta_range_min        10.0
_pd_phase_block_id               2001-02-23T18:59|PHASE_1||
_pd_phase_name                   1
_pd_proc_2theta_range_inc        .02
_pd_proc_2theta_range_max        79.98
_pd_proc_2theta_range_min        10.0
_pd_proc_info_datetime           2001-02-23T18:59:23
_pd_proc_ls_prof_R_factor        .1239
_pd_proc_ls_prof_wR_expected     .0451
_pd_proc_ls_prof_wR_factor       .1668
_refine_ls_goodness_of_fit_all   5.25
_refine_ls_number_parameters     37
_refine_ls_number_restraints     23
_refine_ls_shift/esd_max         4.74
_refine_ls_shift/esd_mean        .70
_cod_data_source_file            ic010259y.cif
_cod_data_source_block           REAL1_phase_1
_cod_database_code               4320033
_publ_block_id                   ' 2001-02-23T18:59|REAL1_overall|||'
_pd_instr_radiation_probe        x-ray
Novel Silicate Anion: Si8O2212-. Hydrothermal Synthesis and X-ray Powder Structure of Three New Niobium Silicates
Miguel A. Salvadó; Pilar Pertierra; Santiago García-Granda; Sergei A. Khainakov; José R. García; Anatoly I. Bortun; Abraham Clearfield; Inorganic Chemistry 40 (2001) 4368–4373; doi:10.1021/ic0101174

data_4320066
_publ_contact_author_address
;
Dpto. Qu\'imica F\'isica y Anal\'itica
Universidad de Oviedo
33006 - Oviedo
Spain
;
_publ_contact_author_email       mass@sauron.quimica.uniovi.es
_publ_contact_author_name        'Dr Miguel A. Salvad\'o'
_publ_section_title
;
 Novel Silicate Anion: Si8O2212-. Hydrothermal Synthesis and X-ray Powder
 Structure of Three New Niobium Silicates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4368
_journal_page_last               4373
_journal_paper_doi               10.1021/ic0101174
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'H2.33 Cs.66 Nb1 O12 Si4'
_chemical_formula_structural     'H.33 Cs.66 Nb(H2 O) Si4 O11'
_chemical_formula_sum            'Cs0.66 H2.33 Nb O12 Si4'
_chemical_formula_weight         487.31
_chemical_name_systematic
;
caesium niobium(V)tetrasilicate
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 107.019(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   7.3581(5)
_cell_length_b                   9.0354(9)
_cell_length_c                   9.6377(7)
_cell_measurement_temperature    295
_cell_volume                     612.69(9)
_computing_molecular_graphics    'EUCLID (Spek, 1982)'
_computing_structure_refinement  'FULLPROF (Rodriguez-Carvajal, 1990)'
_diffrn_measurement_device_type  Bragg-Brentano
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    2.64
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             463
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110
_pd_meas_2theta_range_min        11
_pd_meas_number_of_points        4951
_pd_proc_ls_background_function  'fourth degree polynomial'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        0.0154
_pd_proc_ls_prof_wR_expected     0.0038
_pd_proc_ls_prof_wR_factor       0.0120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   3.17
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_constraints    13
_refine_ls_number_parameters     51
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            ic0101174_1.cif
_cod_data_source_block           ns91csdata
_cod_original_cell_volume        612.69
_cod_original_formula_sum        'H2.33 Cs.66 Nb1 O12 Si4'
_cod_database_code               4320066
Novel Silicate Anion: Si8O2212-. Hydrothermal Synthesis and X-ray Powder Structure of Three New Niobium Silicates
Miguel A. Salvadó; Pilar Pertierra; Santiago García-Granda; Sergei A. Khainakov; José R. García; Anatoly I. Bortun; Abraham Clearfield; Inorganic Chemistry 40 (2001) 4368–4373; doi:10.1021/ic0101174

data_4320067
_publ_contact_author_address
;
Dpto. Qu\'imica F\'isica y Anal\'itica
Universidad de Oviedo
33006 - Oviedo
Spain
;
_publ_contact_author_email       mass@sauron.quimica.uniovi.es
_publ_contact_author_name        'Dr Miguel A. Salvad\'o'
_publ_section_title
;
 Novel Silicate Anion: Si8O2212-. Hydrothermal Synthesis and X-ray Powder
 Structure of Three New Niobium Silicates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4368
_journal_page_last               4373
_journal_paper_doi               10.1021/ic0101174
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'H1 Na2 Nb1 O12 Si4, 1.25(H2 O)'
_chemical_formula_structural     'Na2 H(NbO)Si4O11 (H2 O)1.25'
_chemical_formula_sum            'H3.5 Na2 Nb O13.25 Si4'
_chemical_formula_weight         466.75
_chemical_name_systematic
;
sodium niobium(V)tetrasilicate
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 101.341(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   7.1543(2)
_cell_length_b                   9.1228(3)
_cell_length_c                   8.8966(3)
_cell_measurement_temperature    295
_cell_volume                     569.32(3)
_computing_molecular_graphics    'EUCLID (Spek, 1982)'
_computing_structure_refinement  'FULLPROF (Rodriguez-Carvajal, 1990)'
_diffrn_measurement_device_type  Bragg-Brentano
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    2.72
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             457
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110
_pd_meas_2theta_range_min        8
_pd_meas_number_of_points        5101
_pd_proc_ls_background_function  'fourth degree polynomial'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        0.0096
_pd_proc_ls_prof_wR_expected     0.0033
_pd_proc_ls_prof_wR_factor       0.0133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   4.00
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_constraints    11
_refine_ls_number_parameters     60
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            ic0101174_2.cif
_cod_data_source_block           ns69data
_cod_original_cell_volume        569.32
_cod_original_formula_sum        'H3.50 Na2 Nb1 O13.25 Si4'
_cod_database_code               4320067