LMucko/crystallography-open-database huggingface dataset:
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 0.47 GPa, room temperature
Seryotkin, Y.V.; Bakakin, V.V.; Physics and Chemistry of Minerals 38 (2011) 679–684; doi:

data_1549514
_publ_section_title
;
 Structural evolution of hemimorphite at high pressure up to 4.2 GPa :
 hemimorphite @ 0.47 GPa, room temperature
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              679
_journal_page_last               684
_journal_volume                  38
_journal_year                    2011
_chemical_formula_sum            'H4 O10 Si2 Zn4'
_chemical_name_common            'Zn4Si2O7(OH)2H2O at 0.47 GPa'
_chemical_name_mineral           'hemimorphite at 0.47 GPa'
_space_group_IT_number           44
_space_group_name_H-M_alt        'I m m 2'
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.3359(8)
_cell_length_b                   10.7125(13)
_cell_length_c                   5.10008(19)
_cell_volume                     455.43(7)
_diffrn_ambient_pressure         0.47E+6
_cod_data_source_file            hemimorphite-I-0.47GPa.cif
_cod_data_source_block           hemimorphite-0.47GPa
_cod_original_formula_sum        'Zn4.0 Si2.0 O10.0 H4.0'
_cod_database_code               1549514
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1.30 GPa, room temperature
Seryotkin, Y.V.; Bakakin, V.V.; Physics and Chemistry of Minerals 38 (2011) 679–684; doi:

data_1549515
_publ_section_title
;
 Structural evolution of hemimorphite at high pressure up to 4.2 GPa :
 hemimorphite @ 1.30 GPa, room temperature
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              679
_journal_page_last               684
_journal_volume                  38
_journal_year                    2011
_chemical_formula_sum            'H4 O10 Si2 Zn4'
_chemical_name_common            'Zn4Si2O7(OH)2H2O at 1.30 GPa'
_chemical_name_mineral           'hemimorphite at 1.30 GPa'
_space_group_IT_number           44
_space_group_name_H-M_alt        'I m m 2'
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.2849(8)
_cell_length_b                   10.7055(13)
_cell_length_c                   5.08430(18)
_cell_volume                     450.95(7)
_diffrn_ambient_pressure         1.30E+6
_cod_data_source_file            hemimorphite-I-1.30GPa.cif
_cod_data_source_block           hemimorphite-1.30GPa
_cod_original_formula_sum        'Zn4.0 Si2.0 O10.0 H4.0'
_cod_database_code               1549515
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 1.93 GPa, room temperature
Seryotkin, Y.V.; Bakakin, V.V.; Physics and Chemistry of Minerals 38 (2011) 679–684; doi:

data_1549516
_publ_section_title
;
 Structural evolution of hemimorphite at high pressure up to 4.2 GPa :
 hemimorphite @ 1.93 GPa, room temperature
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              679
_journal_page_last               684
_journal_volume                  38
_journal_year                    2011
_chemical_formula_sum            'H4 O10 Si2 Zn4'
_chemical_name_common            'Zn4Si2O7(OH)2H2O at 1.93 GPa'
_chemical_name_mineral           'hemimorphite at 1.93 GPa'
_space_group_IT_number           44
_space_group_name_H-M_alt        'I m m 2'
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.2453(10)
_cell_length_b                   10.6959(16)
_cell_length_c                   5.0691(2)
_cell_volume                     447.05(9)
_diffrn_ambient_pressure         1.93E+6
_cod_data_source_file            hemimorphite-I-1.93GPa.cif
_cod_data_source_block           hemimorphite-1.93GPa
_cod_original_formula_sum        'Zn4.0 Si2.0 O10.0 H4.0'
_cod_database_code               1549516
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite @ 2.44 GPa, room temperature
Seryotkin, Y.V.; Bakakin, V.V.; Physics and Chemistry of Minerals 38 (2011) 679–684; doi:

data_1549517
_publ_section_title
;
 Structural evolution of hemimorphite at high pressure up to 4.2 GPa :
 hemimorphite @ 2.44 GPa, room temperature
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              679
_journal_page_last               684
_journal_volume                  38
_journal_year                    2011
_chemical_formula_sum            'H4 O10 Si2 Zn4'
_chemical_name_common            'Zn4Si2O7(OH)2H2O at 2.44 GPa'
_chemical_name_mineral           'hemimorphite at 2.44 GPa'
_space_group_IT_number           44
_space_group_name_H-M_alt        'I m m 2'
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.2209(9)
_cell_length_b                   10.6920(15)
_cell_length_c                   5.0614(2)
_cell_volume                     444.89(8)
_diffrn_ambient_pressure         2.44E+6
_cod_data_source_file            hemimorphite-I-2.44GPa.cif
_cod_data_source_block           hemimorphite-2.44GPa
_cod_original_formula_sum        'Zn4.0 Si2.0 O10.0 H4.0'
_cod_database_code               1549517
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.17 GPa, room temperature
Seryotkin, Y.V.; Bakakin, V.V.; Physics and Chemistry of Minerals 38 (2011) 679–684; doi:

data_1549519
_publ_section_title
;
 Structural evolution of hemimorphite at high pressure up to 4.2 GPa :
 hemimorphite II @ 3.17 GPa, room temperature
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              679
_journal_page_last               684
_journal_volume                  38
_journal_year                    2011
_chemical_formula_sum            'H4 O10 Si2 Zn4'
_chemical_name_common            'Zn4Si2O7(OH)2H2O at 3.17 GPa'
_chemical_name_mineral           'hemimorphite II at 3.17 GPa'
_space_group_IT_number           34
_space_group_name_H-M_alt        'P n n 2'
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.1407(6)
_cell_length_b                   10.6127(9)
_cell_length_c                   5.04567(15)
_cell_volume                     435.92(5)
_diffrn_ambient_pressure         3.17E+6
_cod_data_source_file            hemimorphite-II-3.17GPa.cif
_cod_data_source_block           hemimorphiteII-3.17GPa
_cod_original_formula_sum        'Zn4.0 Si2.0 O10.0 H4.0'
_cod_database_code               1549519
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 4.2 GPa, room temperature
Seryotkin, Y.V.; Bakakin, V.V.; Physics and Chemistry of Minerals 38 (2011) 679–684; doi:

data_1549522
_publ_section_title
;
 Structural evolution of hemimorphite at high pressure up to 4.2 GPa :
 hemimorphite II @ 4.2 GPa, room temperature
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              679
_journal_page_last               684
_journal_volume                  38
_journal_year                    2011
_chemical_formula_sum            'H4 O10 Si2 Zn4'
_chemical_name_common            'Zn4Si2O7(OH)2H2O at 4.20 GPa'
_chemical_name_mineral           'hemimorphite II at 4.20 GPa'
_space_group_IT_number           34
_space_group_name_H-M_alt        'P n n 2'
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.0863(8)
_cell_length_b                   10.5218(12)
_cell_length_c                   5.02927(19)
_cell_volume                     427.90(7)
_diffrn_ambient_pressure         4.20E+6
_cod_data_source_file            hemimorphite-II-4.2GPa.cif
_cod_data_source_block           hemimorphiteII-4.2GPa
_cod_original_formula_sum        'Zn4.0 Si2.0 O10.0 H4.0'
_cod_database_code               1549522
Structural evolution of hemimorphite at high pressure up to 4.2 GPa : hemimorphite II @ 3.74 GPa, room temperature
Seryotkin, Y.V.; Bakakin, V.V.; Physics and Chemistry of Minerals 38 (2011) 679–684; doi:

data_1549523
_publ_section_title
;
 Structural evolution of hemimorphite at high pressure up to 4.2 GPa :
 hemimorphite II @ 3.74 GPa, room temperature
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              679
_journal_page_last               684
_journal_volume                  38
_journal_year                    2011
_chemical_formula_sum            'H4 O10 Si2 Zn4'
_chemical_name_common            'Zn4Si2O7(OH)2H2O at 3.74 GPa'
_chemical_name_mineral           'hemimorphite II at 3.74 GPa'
_space_group_IT_number           34
_space_group_name_H-M_alt        'P n n 2'
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.1034(6)
_cell_length_b                   10.5561(10)
_cell_length_c                   5.0324(2)
_cell_volume                     430.47(5)
_diffrn_ambient_pressure         3.74E+6
_cod_data_source_file            hemimorphite-II-3.74GPa.cif
_cod_data_source_block           hemimorphiteII-3.74GPa
_cod_original_formula_sum        'Zn4.0 Si2.0 O10.0 H4.0'
_cod_database_code               1549523
M2(H2O)[μ10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations
Köferstein, Roberto; Robl, Christian; Zeitschrift für anorganische und allgemeine Chemie 641 (2015) 1150–; doi:10.1002/zaac.201500050

data_1549530
_publ_section_title
;
 M2(H2O)[\m10-C6H2(COO)4] (M= Ba2+, Pb2+) - Two Isotypic Three-Dimensional
 Coordination Polymers with a Layer-like Separation between Anions and
 Cations
;
_journal_issue                   6
_journal_name_full
'Zeitschrift f\"ur anorganische und allgemeine Chemie'
_journal_page_first              1150
_journal_paper_doi               10.1002/zaac.201500050
_journal_volume                  641
_journal_year                    2015
_chemical_formula_sum            'C10 H4 Ba2 O9'
_chemical_formula_weight         542.810
_space_group_IT_number           15
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2018-06-12
_audit_creation_method           SHELXL
_audit_update_record             2018-06-12
_cell_angle_alpha                90.000
_cell_angle_beta                 114.512(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   7.8089(4)
_cell_length_b                   17.5619(8)
_cell_length_c                   9.1480(5)
_cell_volume                     1141.48(11)
_refine_ls_R_factor_all          0.023
_refine_ls_R_factor_obs          0.020
_cod_data_source_file            BaPYRO1.cif
_cod_data_source_block           bapyro
_cod_original_cell_volume        1141.5(1)
_cod_original_sg_symbol_Hall     -C_2yc
_cod_database_code               1549530
A Novel One-Dimensional Copper Mellitate Complex Featured by {Cu(H2O)2(urea)[C6(COO)4(COOH)2]}n2n-Polyanions
Köferstein, Roberto; Robl, Christian; Zeitschrift für anorganische und allgemeine Chemie 641 (2015) 1886–; doi:10.1002/zaac.201500231

data_1549533
_publ_section_title
;
 A Novel One-Dimensional Copper Mellitate Complex Featured by
 {Cu(H2O)2(urea)[C6(COO)4(COOH)2]}n2n-Polyanions
;
_journal_issue                   11
_journal_name_full
'Zeitschrift f\"ur anorganische und allgemeine Chemie'
_journal_page_first              1886
_journal_paper_doi               10.1002/zaac.201500231
_journal_volume                  641
_journal_year                    2015
_chemical_formula_sum            'C19 H30 Cu N4 O16'
_chemical_formula_weight         634.010
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2018-06-12
_audit_creation_method           SHELXL
_audit_update_record             2018-06-12
_cell_angle_alpha                90.000
_cell_angle_beta                 97.655(8)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   9.5848(9)
_cell_length_b                   14.6574(11)
_cell_length_c                   18.2114(12)
_cell_volume                     2535.7(4)
_refine_ls_R_factor_all          0.044
_refine_ls_R_factor_obs          0.032
_cod_data_source_file            Cuhexmel3a.cif
_cod_data_source_block           cu16me
_cod_original_cell_volume        2535.7(3)
_cod_original_sg_symbol_Hall     -P_2yn
_cod_database_code               1549533
Synthesis and Crystal Structure of Two CuII-benzene-1,2,4,5-tetracarboxylates with Three-Dimensional Open Frameworks
Köferstein, Roberto; Robl, Christian; Zeitschrift für anorganische und allgemeine Chemie 640 (2014) 310–; doi:10.1002/zaac.201300527

data_1549534
_publ_section_title
;
 Synthesis and Crystal Structure of Two
 CuII-benzene-1,2,4,5-tetracarboxylates with Three-Dimensional Open
 Frameworks
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur anorganische und allgemeine Chemie'
_journal_page_first              310
_journal_paper_doi               10.1002/zaac.201300527
_journal_volume                  640
_journal_year                    2014
_chemical_formula_sum            'C13 H21 Cu1.5 N O13'
_chemical_formula_weight         494.620
_space_group_IT_number           2
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2018-06-12
_audit_creation_method           SHELXL
_audit_update_record             2018-06-12
_cell_angle_alpha                98.720(7)
_cell_angle_beta                 108.246(9)
_cell_angle_gamma                95.559(7)
_cell_formula_units_Z            2
_cell_length_a                   7.7256(7)
_cell_length_b                   11.1036(7)
_cell_length_c                   11.1198(8)
_cell_volume                     884.80(13)
_refine_ls_R_factor_all          0.031
_refine_ls_R_factor_obs          0.026
_cod_data_source_file            Cuhexpym5.cif
_cod_data_source_block           cu1655
_cod_original_cell_volume        884.8(1)
_cod_original_sg_symbol_Hall     -P_1
_cod_original_formula_sum        'C13 H21 Cu1.50 N O13'
_cod_database_code               1549534
Synthesis and Crystal Structure of Two CuII-benzene-1,2,4,5-tetracarboxylates with Three-Dimensional Open Frameworks
Köferstein, Roberto; Robl, Christian; Zeitschrift für anorganische und allgemeine Chemie 640 (2014) 310–; doi:10.1002/zaac.201300527

data_1549535
_publ_section_title
;
 Synthesis and Crystal Structure of Two
 CuII-benzene-1,2,4,5-tetracarboxylates with Three-Dimensional Open
 Frameworks
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur anorganische und allgemeine Chemie'
_journal_page_first              310
_journal_paper_doi               10.1002/zaac.201300527
_journal_volume                  640
_journal_year                    2014
_chemical_formula_sum            'C13 H18 Cu2 N O12'
_chemical_formula_weight         507.360
_space_group_IT_number           13
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_audit_creation_date             2018-06-12
_audit_creation_method           SHELXL
_audit_update_record             2018-06-12
_cell_angle_alpha                90.000
_cell_angle_beta                 106.130(11)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   11.5934(11)
_cell_length_b                   10.5944(7)
_cell_length_c                   15.822(2)
_cell_volume                     1866.8(3)
_refine_ls_R_factor_all          0.042
_refine_ls_R_factor_obs          0.033
_cod_data_source_file            Cuhexpym3.cif
_cod_data_source_block           cu1680
_cod_original_sg_symbol_Hall     -P_2yc
_cod_database_code               1549535
Synthesis, Crystal Structure, Hydrogen Bonding, and Thermal Behavior of a Three-Dimensional CuII-benzene-1,2,4,5-tetracarboxylate Templated by 1,9-Diaminononane
Köferstein, Roberto; Robl, Christian; Zeitschrift für anorganische und allgemeine Chemie 640 (2014) 1937–; doi:10.1002/zaac.201400177

data_1549539
_publ_section_title
;
 Synthesis, Crystal Structure, Hydrogen Bonding, and Thermal Behavior of a
 Three-Dimensional CuII-benzene-1,2,4,5-tetracarboxylate Templated by
 1,9-Diaminononane
;
_journal_issue                   10
_journal_name_full
'Zeitschrift f\"ur anorganische und allgemeine Chemie'
_journal_page_first              1937
_journal_paper_doi               10.1002/zaac.201400177
_journal_volume                  640
_journal_year                    2014
_chemical_formula_sum            'C29 H40 Cu4 N2 O23'
_chemical_formula_weight         1038.790
_space_group_IT_number           2
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2018-06-13
_audit_creation_method           SHELXL
_audit_update_record             2018-06-13
_cell_angle_alpha                106.08(1)
_cell_angle_beta                 90.73(2)
_cell_angle_gamma                94.05(1)
_cell_formula_units_Z            2
_cell_length_a                   10.575(2)
_cell_length_b                   11.660(2)
_cell_length_c                   15.767(2)
_cell_volume                     1862.4(5)
_refine_ls_R_factor_all          0.054
_refine_ls_R_factor_obs          0.045
_cod_data_source_file            Cunonpym5.cif
_cod_data_source_block           cu1980
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               1549539
Cd(H2O)2[C6H3(COO)2(COOH)] - Ein zweidimensionales Koordinationspolymer mit Kationenaustauschermerkmalen
Köferstein, Roberto; Robl, Christian; Zeitschrift für Anorganische und Allgemeine Chemie 631 (2005) 1035–; doi:10.1002/zaac.200400480

data_1549540
_publ_section_title
;
 Cd(H2O)2[C6H3(COO)2(COOH)] - Ein zweidimensionales Koordinationspolymer
 mit Kationenaustauschermerkmalen
;
_journal_coden_ASTM              ZAACAB
_journal_issue                   6-7
_journal_name_full
'Zeitschrift f\"ur Anorganische und Allgemeine Chemie'
_journal_page_first              1035
_journal_paper_doi               10.1002/zaac.200400480
_journal_volume                  631
_journal_year                    2005
_chemical_formula_sum            'C9 H8 Cd O8'
_chemical_formula_weight         356.550
_space_group_IT_number           15
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2018-06-13
_audit_creation_method           SHELXL
_audit_update_record             2018-06-13
_cell_angle_alpha                90.000
_cell_angle_beta                 117.897(8)
_cell_angle_gamma                90.000
_cell_formula_units_Z            8
_cell_length_a                   19.730(2)
_cell_length_b                   9.1074(7)
_cell_length_c                   13.3681(10)
_cell_volume                     2123.0(4)
_refine_ls_R_factor_all          0.026
_refine_ls_R_factor_obs          0.023
_cod_data_source_file            Cdtrim1.cif
_cod_data_source_block           cd14tri
_cod_original_cell_volume        2123.0(3)
_cod_original_sg_symbol_Hall     -C_2yc
_cod_database_code               1549540
Über die Schichtstruktur von Cu2(H2O)4[C4H4N2][C6H2(COO)4]·2H2O
Köferstein, Roberto; Robl, Christian; Zeitschrift für anorganische und allgemeine Chemie 631 (2005) 1756–; doi:10.1002/zaac.200500141

data_1549541
_publ_section_title
;
 \"Uber die Schichtstruktur von Cu2(H2O)4[C4H4N2][C6H2(COO)4]&#x00B7;2H2O
;
_journal_issue                   10
_journal_name_full
'Zeitschrift f\"ur anorganische und allgemeine Chemie'
_journal_page_first              1756
_journal_paper_doi               10.1002/zaac.200500141
_journal_volume                  631
_journal_year                    2005
_chemical_formula_sum            'C14 H18 Cu2 N2 O14'
_chemical_formula_weight         565.380
_space_group_IT_number           2
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2018-06-13
_audit_creation_method           SHELXL
_audit_update_record             2018-06-13
_cell_angle_alpha                74.24(2)
_cell_angle_beta                 79.235(15)
_cell_angle_gamma                65.451(10)
_cell_formula_units_Z            1
_cell_length_a                   7.2394(7)
_cell_length_b                   8.1338(14)
_cell_length_c                   9.310(2)
_cell_volume                     478.19(15)
_refine_ls_R_factor_all          0.035
_refine_ls_R_factor_obs          0.033
_cod_data_source_file            Cupyzpym-1.cif
_cod_data_source_block           cupyzh
_cod_original_cell_volume        478.2(1)
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               1549541
[(C6H10)(NH3)2][Ni(H2O)4C6H2(COO)4]·4H2O ‒ A Coordination Polymer with the Chain-like Polyanion {Ni(H2O)4[C6H2(COO)4]2−}n
Köferstein, Roberto; Robl, Christian; Zeitschrift für anorganische und allgemeine Chemie 633 (2007) 1323–; doi:10.1002/zaac.200700139

data_1549542
_publ_section_title
;
 [(C6H10)(NH3)2][Ni(H2O)4C6H2(COO)4]&#x00B7;4H2O -- A Coordination Polymer
 with the Chain-like Polyanion {Ni(H2O)4[C6H2(COO)4]2&#x2212;}n
;
_journal_issue                   9
_journal_name_full
'Zeitschrift f\"ur anorganische und allgemeine Chemie'
_journal_page_first              1323
_journal_paper_doi               10.1002/zaac.200700139
_journal_volume                  633
_journal_year                    2007
_chemical_formula_sum            'C16 H34 N2 Ni O16'
_chemical_formula_weight         569.160
_space_group_IT_number           2
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2018-06-13
_audit_creation_method           SHELXL
_audit_update_record             2018-06-13
_cell_angle_alpha                74.208(6)
_cell_angle_beta                 75.558(7)
_cell_angle_gamma                68.251(6)
_cell_formula_units_Z            1
_cell_length_a                   6.9123(6)
_cell_length_b                   9.2484(5)
_cell_length_c                   10.8243(7)
_cell_volume                     609.85(8)
_refine_ls_R_factor_all          0.028
_refine_ls_R_factor_obs          0.026
_cod_data_source_file            Nihexpym-1.cif
_cod_data_source_block           ni1455
_cod_original_cell_volume        609.9(1)
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               1549542