LMucko/crystallography-open-database huggingface dataset:
A Two-Dimensional Square Network Inclusion Compound Incorporating Guest Molecules Through Both Hydrogen Bonding and Nonionic Electrostatic Attraction. Crystal Structure of [Cd(4,4'-bpy)2(H2O)2]-(ClO4)2.1.5(4,4'-bpy).(C6H4NO3Cl).H2O
Liu, Cai-Ming; Xiong, Ren-Gen; You, Xiao-Zeng; Chen, Wei; Acta Chemica Scandinavica 52 (1998) 1353–1358; doi:10.3891/acta.chem.scand.52-1353

data_1557047
_publ_section_title
;
 A Two-Dimensional Square Network Inclusion Compound Incorporating Guest
 Molecules Through Both Hydrogen Bonding and Nonionic Electrostatic
 Attraction. Crystal Structure of
 [Cd(4,4'-bpy)2(H2O)2]-(ClO4)2.1.5(4,4'-bpy).(C6H4NO3Cl).H2O
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1353
_journal_page_last               1358
_journal_paper_doi               10.3891/acta.chem.scand.52-1353
_journal_volume                  52
_journal_year                    1998
_chemical_formula_sum            'C41 H38 Cd Cl3 N8 O14'
_chemical_formula_weight         1085.54
_space_group_IT_number           3
_space_group_name_Hall           'P 2y'
_space_group_name_H-M_alt        'P 1 2 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      3
_symmetry_space_group_name_Hall  'P 2y'
_symmetry_space_group_name_H-M   'P 1 2 1'
_cell_angle_alpha                90.
_cell_angle_beta                 92.386(6)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   11.7365(8)
_cell_length_b                   11.7808(7)
_cell_length_c                   16.851(1)
_cell_volume                     2327.9(3)
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.715
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_F_000             1102
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_number_parameters     606
_refine_ls_number_reflns         3862
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0351
_refine_ls_wR_factor_gt          0.0813
_refine_ls_wR_factor_ref         0.0843
_cod_data_source_file            Acta-Chem-Scand-1998-52-1353.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 2'
_cod_original_formula_sum        'C41 H38 N8 O14 Cl3 Cd'
_cod_database_code               1557047
Synthesis, Crystal Structure and Thermal Behaviour of the Diethylenetriammonium Oxalate-Water (1/4), (H3dien)2(ox)3.4H2O
Roman, Pascual; Guzman-Miralles, Carmen; Luque, Antonio; Beitia, Javier I.; Acta Chemica Scandinavica 51 (1997) 13–18; doi:10.3891/acta.chem.scand.51-0013

data_1557048
_publ_section_title
;
 Synthesis, Crystal Structure and Thermal Behaviour of the
 Diethylenetriammonium Oxalate-Water (1/4), (H3dien)2(ox)3.4H2O
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              13
_journal_page_last               18
_journal_paper_doi               10.3891/acta.chem.scand.51-0013
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C14 H40 N6 O16'
_chemical_formula_weight         548.50
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                66.02(5)
_cell_angle_beta                 71.95(6)
_cell_angle_gamma                86.70(3)
_cell_formula_units_Z            1
_cell_length_a                   8.626(3)
_cell_length_b                   9.361(1)
_cell_length_c                   9.385(1)
_cell_volume                     656.3(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.1177
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_F_000             294
_refine_ls_goodness_of_fit_ref   1.20
_refine_ls_number_parameters     227
_refine_ls_number_reflns         2846
_refine_ls_R_factor_gt           0.072
_refine_ls_wR_factor_gt          0.085
_cod_data_source_file            Acta-Chem-Scand-1997-51-13.cif
_cod_data_source_block           1
_cod_original_cell_volume        656.3(2)
_cod_database_code               1557048
Ca<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl and Sr<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows.
Wang, Zujian; He, Jiangang; Hu, Bing; Shan, Pai; Xiong, Zheyao; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa; ACS applied materials & interfaces 12 (2020) 4632–4637; doi:10.1021/acsami.9b21072

data_4517315
_publ_section_title
;
 Ca<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl and
 Sr<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl: Nonlinear Optical Crystals
 with Deep-Ultraviolet Transparency Windows.
;
_journal_issue                   4
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              4632
_journal_page_last               4637
_journal_paper_doi               10.1021/acsami.9b21072
_journal_volume                  12
_journal_year                    2020
_chemical_formula_sum            'B10 Cl2 O18 Sr4'
_chemical_formula_weight         817.480
_space_group_IT_number           34
_space_group_name_Hall           'P 2 -2n'
_space_group_name_H-M_alt        'P n n 2'
_symmetry_Int_Tables_number      34
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_audit_creation_date             2019-05-21
_audit_creation_method           SHELXL-2016/6
_audit_update_record             2019-05-21
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   11.302(7)
_cell_length_b                   11.408(7)
_cell_length_c                   6.494(4)
_cell_volume                     837.3(9)
_refine_ls_R_factor_all          0.054
_cod_data_source_file            am9b21072_si_003.cif
_cod_data_source_block           E:\single\WZE97
_cod_depositor_comments
'Adding full bibliography for 4517315--4517316.cif.'
_cod_original_sg_symbol_Hall     P_2_-2n
_cod_database_code               4517315
Crystal Structures of N(6),N(6)-Dimethyladeninium Trichloroacetate and N(6)-Methyladeninium Dinitrate.
Dahl, Tor; Rasmussen, Inge; Acta Chemica Scandinavica 51 (1997) 19–23; doi:10.3891/acta.chem.scand.51-0019

data_1557070
_publ_section_title
;
 Crystal Structures of N(6),N(6)-Dimethyladeninium Trichloroacetate and
 N(6)-Methyladeninium Dinitrate.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              19
_journal_page_last               23
_journal_paper_doi               10.3891/acta.chem.scand.51-0019
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C9 H10 Cl3 N5 O2'
_chemical_formula_weight         326.57
_chemical_name_common
'N(6),N(6)-Dimethyladeninium trichloroacetate'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   28.008(5)
_cell_length_b                   6.738(3)
_cell_length_c                   7.291(2)
_cell_volume                     1375.9(8)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    6.09
_exptl_crystal_density_diffrn    1.576
_refine_ls_number_reflns         549
_refine_ls_R_factor_gt           0.068
_refine_ls_wR_factor_gt          0.069
_cod_data_source_file            Acta-Chem-Scand-1997-51-19-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        1375.9(6)
_cod_database_code               1557070
Crystal Structures of N(6),N(6)-Dimethyladeninium Trichloroacetate and N(6)-Methyladeninium Dinitrate.
Dahl, Tor; Rasmussen, Inge; Acta Chemica Scandinavica 51 (1997) 19–23; doi:10.3891/acta.chem.scand.51-0019

data_1557071
_publ_section_title
;
 Crystal Structures of N(6),N(6)-Dimethyladeninium Trichloroacetate and
 N(6)-Methyladeninium Dinitrate.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              19
_journal_page_last               23
_journal_paper_doi               10.3891/acta.chem.scand.51-0019
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C6 H9 N7 O6'
_chemical_formula_weight         275.18
_chemical_name_common            'N(6)-Methyladeninium dinitrate'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_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.
_cell_angle_beta                 98.56(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   6.428(2)
_cell_length_b                   20.269(2)
_cell_length_c                   16.918(2)
_cell_volume                     2179.7(8)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CUK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.33
_exptl_crystal_density_diffrn    1.677
_refine_ls_number_reflns         3215
_refine_ls_R_factor_gt           0.054
_refine_ls_wR_factor_gt          0.059
_cod_data_source_file            Acta-Chem-Scand-1997-51-19-2.cif
_cod_data_source_block           2
_cod_original_cell_volume        2179.6(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1557071
Formation of Tetrahydrofuran Adducts of LiZrCl5 in the Reaction of Li(NPh2) and ZrCl4: Crystal Structures of [Li(thf)4][ZrCl5(thf)] and Li(thf)3-mu-Cl-ZrCl4(thf).
Polamo, Mika; Leskela, Markku; Acta Chemica Scandinavica 51 (1997) 44–48; doi:10.3891/acta.chem.scand.51-0044

data_1557072
_publ_section_title
;
 Formation of Tetrahydrofuran Adducts of LiZrCl5 in the Reaction of
 Li(NPh2) and ZrCl4: Crystal Structures of [Li(thf)4][ZrCl5(thf)] and
 Li(thf)3-mu-Cl-ZrCl4(thf).
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              44
_journal_page_last               48
_journal_paper_doi               10.3891/acta.chem.scand.51-0044
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C20 H40 Cl5 Li O5 Zr'
_chemical_formula_weight         635.93
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_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.
_cell_angle_beta                 105.59(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.466(9)
_cell_length_b                   16.361(9)
_cell_length_c                   17.645(7)
_cell_volume                     2910(3)
_diffrn_ambient_temperature      153
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.863
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_F_000             1312
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_number_parameters     538
_refine_ls_number_reflns         5922
_refine_ls_R_factor_all          0.0942
_refine_ls_R_factor_gt           0.0695
_refine_ls_wR_factor_gt          0.1711
_refine_ls_wR_factor_ref         0.1862
_cod_data_source_file            Acta-Chem-Scand-1997-51-44-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No thermal values given in the paper
Arbitrarily values Uiso set to 0.03
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1557072
Formation of Tetrahydrofuran Adducts of LiZrCl5 in the Reaction of Li(NPh2) and ZrCl4: Crystal Structures of [Li(thf)4][ZrCl5(thf)] and Li(thf)3-mu-Cl-ZrCl4(thf).
Polamo, Mika; Leskela, Markku; Acta Chemica Scandinavica 51 (1997) 44–48; doi:10.3891/acta.chem.scand.51-0044

data_1557073
_publ_section_title
;
 Formation of Tetrahydrofuran Adducts of LiZrCl5 in the Reaction of
 Li(NPh2) and ZrCl4: Crystal Structures of [Li(thf)4][ZrCl5(thf)] and
 Li(thf)3-mu-Cl-ZrCl4(thf).
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              44
_journal_page_last               48
_journal_paper_doi               10.3891/acta.chem.scand.51-0044
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C16 H32 Cl5 Li O4 Zr'
_chemical_formula_weight         563.83
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 90.37(5)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.320(6)
_cell_length_b                   17.686(7)
_cell_length_c                   13.622(9)
_cell_volume                     2727(3)
_diffrn_ambient_temperature      193
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.981
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_F_000             1152
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_number_parameters     261
_refine_ls_number_reflns         4909
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0391
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0904
_cod_data_source_file            Acta-Chem-Scand-1997-51-44-2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
No thermal values given in the paper
Arbitrarily values Uiso set to 0.03
;
_cod_original_cell_volume        2527(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557073
Synthesis and Crystal Structure of an 8-Coordinated Tetrakis[2-(phenylamido)pyridine]hafnium(IV) and Comparison with a 4-Coordinated Tetrakis(diphenylamido)hafnium(IV)
Polamo, Mika; Leskela, Markku; Acta Chemica Scandinavica 51 (1997) 69–72; doi:10.3891/acta.chem.scand.51-0069

data_1557074
_publ_section_title
;
 Synthesis and Crystal Structure of an 8-Coordinated
 Tetrakis[2-(phenylamido)pyridine]hafnium(IV) and Comparison with a
 4-Coordinated Tetrakis(diphenylamido)hafnium(IV)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              69
_journal_page_last               72
_journal_paper_doi               10.3891/acta.chem.scand.51-0069
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C44 H36 Hf N8'
_chemical_formula_weight         855.30
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 112.01(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   24.213(11)
_cell_length_b                   7.916(8)
_cell_length_c                   20.432(9)
_cell_volume                     3631(4)
_diffrn_ambient_temperature      193
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.918
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_F_000             1712
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_number_parameters     240
_refine_ls_number_reflns         2838
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0878
_refine_ls_wR_factor_gt          0.2417
_refine_ls_wR_factor_ref         0.2442
_cod_data_source_file            Acta-Chem-Scand-1997-51-69.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1557074
Photochemical Nitration by Tetranitromethane. Part XXXVII. Adduct Formation and the Regiochemistry of Attack of Trinitromethanide Ion on Radical Cations in the Photochemical Reactions of 2-Methyl-, 2,3-Dimethyl- and 2,4-Dimethylanisoles
Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.; Timmerman-Vaughan, David J.; Acta Chemica Scandinavica 51 (1997) 73–87; doi:10.3891/acta.chem.scand.51-0073

data_1557076
_publ_section_title
;
 Photochemical Nitration by Tetranitromethane. Part XXXVII. Adduct
 Formation and the Regiochemistry of Attack of Trinitromethanide Ion on
 Radical Cations in the Photochemical Reactions of 2-Methyl-,
 2,3-Dimethyl- and 2,4-Dimethylanisoles
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              73
_journal_page_last               87
_journal_paper_doi               10.3891/acta.chem.scand.51-0073
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C9 H10 N4 O9'
_chemical_formula_weight         318.21
_chemical_name_common
1-methoxy-6-nnethyl-c-6-nitro-r-3-trinitromethylcyclohexa-1,4-diene
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.23(1)
_cell_angle_beta                 86.80(2)
_cell_angle_gamma                83.91(3)
_cell_formula_units_Z            2
_cell_length_a                   6.097(2)
_cell_length_b                   10.290(2)
_cell_length_c                   11.188(2)
_cell_volume                     668.0(3)
_diffrn_ambient_temperature      166
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.144
_exptl_crystal_density_diffrn    1.582
_refine_ls_number_reflns         1699
_refine_ls_R_factor_gt           0.054
_refine_ls_wR_factor_ref         0.130
_cod_data_source_file            Acta-Chem-Scand-1997-51-73.cif
_cod_data_source_block           1
_cod_database_code               1557076
Crystal Structure of Aquadinitrato(2,9-dimethyl-1,10-phenanthroline)copper(II)
Heldal, H. E.; Sletten, J.; Acta Chemica Scandinavica 51 (1997) 122–124; doi:10.3891/acta.chem.scand.51-0122

data_1557077
_publ_section_title
;
 Crystal Structure of
 Aquadinitrato(2,9-dimethyl-1,10-phenanthroline)copper(II)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              122
_journal_page_last               124
_journal_paper_doi               10.3891/acta.chem.scand.51-0122
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'C14 H14 Cu N4 O7'
_chemical_formula_weight         413.83
_chemical_name_common
Aquadinitrato-(2,9-dimethy1-1,10-phenanthroline)copper(II)
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_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.
_cell_angle_beta                 117.6(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.662(1)
_cell_length_b                   20.359(6)
_cell_length_c                   11.642(2)
_cell_volume                     1609(3)
_diffrn_ambient_temperature      104
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.4046
_exptl_crystal_density_diffrn    1.708
_refine_ls_goodness_of_fit_ref   1.274
_refine_ls_number_parameters     292
_refine_ls_number_reflns         1776
_refine_ls_R_factor_gt           0.048
_refine_ls_wR_factor_gt          0.049
_cod_data_source_file            Acta-Chem-Scand-51-1997-122.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No thermal parameters in the paper,
arbitrary values were fixed at Uiso = 0.03...
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1557077
Determination of the Substructure of Na2ZnSi2O6, Synthesized in the Solid State
Grins, Jekabs; Werner, Per-Erik; Kanno, Yoshinori; Acta Chemica Scandinavica 51 (1997) 259–263; doi:10.3891/acta.chem.scand.51-0259

data_1557078
_publ_section_title
;
 Determination of the Substructure of Na2ZnSi2O6, Synthesized in the Solid
 State
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              259
_journal_page_last               263
_journal_paper_doi               10.3891/acta.chem.scand.51-0259
_journal_volume                  51
_journal_year                    1997
_chemical_formula_moiety         'O12 Si4 Zn2, 4(Na)'
_chemical_formula_sum            'Na2 O6 Si2 Zn'
_chemical_formula_weight         263.556
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.
_cell_angle_beta                 93.7(1)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.176(1)
_cell_length_b                   9.413(1)
_cell_length_c                   9.790(1)
_cell_volume                     567.95(14)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_F_000             512
_refine_ls_goodness_of_fit_ref   6.0
_refine_ls_number_parameters     30
_refine_ls_number_reflns         347
_refine_ls_R_Fsqd_factor         0.099
_cod_data_source_file            Acta-Chem-Scand-1997-51-259.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1557078