LMucko/crystallography-open-database huggingface dataset:
Hypergolic metal–organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives
Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-ping; Dalton Transactions  (2026) –; doi:10.1039/D6DT00163G

data_7720897
_publ_section_title
;
 Hypergolic metal-organic frameworks and metal coordination complexes
 constructed by dicyandiamide and imidazole derivatives.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6976
_journal_page_last               6985
_journal_paper_doi               10.1039/d6dt00163g
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'C28 H24 Cu N20 Ni'
_chemical_formula_weight         762.920
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_audit_creation_date             2026-04-02
_audit_creation_method
;
Olex2 1.5

(compiled 2026.03.20 svn.r2bc28608 for OlexSys, GUI svn.r7530)

;
_audit_update_record             2026-04-02
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.2939(4)
_cell_length_b                   16.6232(12)
_cell_length_c                   14.1917(10)
_cell_volume                     1720.7(2)
_refine_ls_R_factor_all          0.054
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           hmof-7
_cod_depositor_comments
'Adding full bibliography for 7720890--7720903.cif.'
_cod_original_sg_symbol_Hall     -C_2bc_2
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               7720897
Hypergolic metal–organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives
Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-ping; Dalton Transactions  (2026) –; doi:10.1039/D6DT00163G

data_7720898
_publ_section_title
;
 Hypergolic metal-organic frameworks and metal coordination complexes
 constructed by dicyandiamide and imidazole derivatives.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6976
_journal_page_last               6985
_journal_paper_doi               10.1039/d6dt00163g
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'C28 H24 Co N20 Ni'
_chemical_formula_weight         758.310
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_audit_creation_date             2026-04-02
_audit_creation_method
;
Olex2 1.5

(compiled 2026.03.20 svn.r2bc28608 for OlexSys, GUI svn.r7530)

;
_audit_update_record             2026-04-02
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   7.2748(2)
_cell_length_b                   16.7275(6)
_cell_length_c                   14.2340(6)
_cell_volume                     1732.12(11)
_refine_ls_R_factor_all          0.033
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           hmof-8
_cod_depositor_comments
'Adding full bibliography for 7720890--7720903.cif.'
_cod_original_cell_volume        1732.1(1)
_cod_original_sg_symbol_Hall     -C_2bc_2
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               7720898
Hypergolic metal–organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives
Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-ping; Dalton Transactions  (2026) –; doi:10.1039/D6DT00163G

data_7720899
_publ_section_title
;
 Hypergolic metal-organic frameworks and metal coordination complexes
 constructed by dicyandiamide and imidazole derivatives.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6976
_journal_page_last               6985
_journal_paper_doi               10.1039/d6dt00163g
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'C14 H16 Cu N10'
_chemical_formula_weight         387.910
_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'
_audit_creation_date             2026-04-02
_audit_creation_method
;
Olex2 1.5

(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7311)

;
_audit_update_record             2026-04-02
_cell_angle_alpha                65.601(11)
_cell_angle_beta                 75.024(13)
_cell_angle_gamma                86.834(12)
_cell_formula_units_Z            1
_cell_length_a                   7.175(3)
_cell_length_b                   7.476(2)
_cell_length_c                   8.999(3)
_cell_volume                     423.9(3)
_refine_ls_R_factor_all          0.087
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           HMOF-10
_cod_depositor_comments
'Adding full bibliography for 7720890--7720903.cif.'
_cod_original_cell_volume        423.9(2)
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               7720899
Hypergolic metal–organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives
Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-ping; Dalton Transactions  (2026) –; doi:10.1039/D6DT00163G

data_7720900
_publ_section_title
;
 Hypergolic metal-organic frameworks and metal coordination complexes
 constructed by dicyandiamide and imidazole derivatives.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6976
_journal_page_last               6985
_journal_paper_doi               10.1039/d6dt00163g
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'C32 H40 Cu2 N20'
_chemical_formula_weight         831.920
_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'
_audit_creation_date             2026-04-02
_audit_creation_method
;
Olex2 1.5

(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)

;
_audit_update_record             2026-04-02
_cell_angle_alpha                74.437(6)
_cell_angle_beta                 76.401(6)
_cell_angle_gamma                87.462(7)
_cell_formula_units_Z            1
_cell_length_a                   7.5492(13)
_cell_length_b                   11.0030(18)
_cell_length_c                   12.607(2)
_cell_volume                     980.3(3)
_refine_ls_R_factor_all          0.072
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           HCC-12
_cod_depositor_comments
'Adding full bibliography for 7720890--7720903.cif.'
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               7720900
Hypergolic metal–organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives
Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-ping; Dalton Transactions  (2026) –; doi:10.1039/D6DT00163G

data_7720901
_publ_section_title
;
 Hypergolic metal-organic frameworks and metal coordination complexes
 constructed by dicyandiamide and imidazole derivatives.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6976
_journal_page_last               6985
_journal_paper_doi               10.1039/d6dt00163g
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'C24 H24 Co N14'
_chemical_formula_weight         567.500
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_audit_creation_date             2026-04-02
_audit_creation_method
;
Olex2 1.5

(compiled 2026.03.20 svn.r2bc28608 for OlexSys, GUI svn.r7530)

;
_audit_update_record             2026-04-02
_cell_angle_alpha                90.000
_cell_angle_beta                 108.943(3)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   16.3490(6)
_cell_length_b                   10.5452(5)
_cell_length_c                   17.0274(7)
_cell_volume                     2776.6(2)
_refine_ls_R_factor_all          0.059
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           hcc-15
_cod_depositor_comments
'Adding full bibliography for 7720890--7720903.cif.'
_cod_original_sg_symbol_Hall     -I_2ya
_cod_database_code               7720901
Hypergolic metal–organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives
Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-ping; Dalton Transactions  (2026) –; doi:10.1039/D6DT00163G

data_7720902
_publ_section_title
;
 Hypergolic metal-organic frameworks and metal coordination complexes
 constructed by dicyandiamide and imidazole derivatives.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6976
_journal_page_last               6985
_journal_paper_doi               10.1039/d6dt00163g
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'C24 H24 N14 Ni'
_chemical_formula_weight         567.280
_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'
_audit_creation_date             2026-04-02
_audit_creation_method
;
Olex2 1.5

(compiled 2026.03.20 svn.r2bc28608 for OlexSys, GUI svn.r7530)

;
_audit_update_record             2026-04-02
_cell_angle_alpha                90.000
_cell_angle_beta                 123.656(1)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   19.2420(8)
_cell_length_b                   10.5897(4)
_cell_length_c                   16.3827(6)
_cell_volume                     2778.70(19)
_refine_ls_R_factor_all          0.049
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           hcc-16
_cod_depositor_comments
'Adding full bibliography for 7720890--7720903.cif.'
_cod_original_cell_volume        2778.7(2)
_cod_original_sg_symbol_Hall     -C_2yc
_cod_database_code               7720902
Hypergolic metal–organic frameworks and metal coordination complexes constructed by dicyandiamide and imidazole derivatives
Dong, Zheting; Chang, Ai; Luo, Chun-Ru; Sun, Xiaohan; Xu, Yuangang; Wang, Pengcheng; Lu, Guo-ping; Dalton Transactions  (2026) –; doi:10.1039/D6DT00163G

data_7720903
_publ_section_title
;
 Hypergolic metal-organic frameworks and metal coordination complexes
 constructed by dicyandiamide and imidazole derivatives.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6976
_journal_page_last               6985
_journal_paper_doi               10.1039/d6dt00163g
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'C24 H24 Cu N14'
_chemical_formula_weight         572.110
_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'
_audit_creation_date             2026-04-02
_audit_creation_method
;
Olex2 1.5

(compiled 2026.03.20 svn.r2bc28608 for OlexSys, GUI svn.r7530)

;
_audit_update_record             2026-04-02
_cell_angle_alpha                90.000
_cell_angle_beta                 122.384(1)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   17.2838(9)
_cell_length_b                   12.1850(7)
_cell_length_c                   15.7516(11)
_cell_volume                     2801.4(3)
_refine_ls_R_factor_all          0.060
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           hcc-17
_cod_depositor_comments
'Adding full bibliography for 7720890--7720903.cif.'
_cod_original_sg_symbol_Hall     -C_2yc
_cod_database_code               7720903