LMucko/crystallography-open-database huggingface dataset:
Refining hydrogen positions in α-FeOOH through combined neutron diffraction and computational techniques.
Nambu, Yusuke; Kuwabara, Akihide; Kawamata, Masahiro; Mori, Seira; Okazaki, Megumi; Maeda, Kazuhiko; Dalton transactions (Cambridge, England : 2003)  (2026) –; doi:10.1039/d5dt00217f

data_7720759
_publ_section_title
;
 Refining hydrogen positions in &#x3b1;-FeOOH through combined neutron
 diffraction and computational techniques.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5780
_journal_page_last               5787
_journal_paper_doi               10.1039/d5dt00217f
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'Fe H O2'
_chemical_name_common            Goethite
_chemical_name_systematic        alpha-FeOOH
_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_space_group_name_H-M   'P n m a'
_audit_update_record
;
2026-03-05 deposited with the CCDC.	2026-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.9409(3)
_cell_length_b                   3.01569(11)
_cell_length_c                   4.59619(18)
_cell_measurement_temperature    231.1(5)
_cell_volume                     137.788(8)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      231.1(5)
_diffrn_measurement_device_type  powder
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.34171
_diffrn_source                   'nuclear reactor'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.050019
_pd_meas_2theta_range_max        153.64999
_pd_meas_2theta_range_min        3.00000
_pd_meas_number_of_points        3014
_pd_proc_2theta_range_inc        0.050019
_pd_proc_2theta_range_max        154.3923
_pd_proc_2theta_range_min        3.7423
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        3.4317
_pd_proc_ls_prof_wR_expected     2.6104
_pd_proc_ls_prof_wR_factor       4.3808
_pd_proc_wavelength              1.341709
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     28
_refine_ls_number_reflns         317
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            10.1609
_cod_data_source_file            d5dt00217f2.cif
_cod_data_source_block           Nuclear_CCDC7
_cod_depositor_comments
'Adding full bibliography for 7720752--7720761.cif.'
_cod_original_cell_volume        137.787(9)
_cod_original_sg_symbol_H-M      Pnma
_cod_original_formula_sum        'Fe O2 H'
_cod_database_code               7720759
_struct_title                    'alpha-FeOOH at 231.1(5) K'
_pd_proc_ls_prof_cr_factor       22.7428
_pd_proc_ls_prof_cwr_factor      21.7482
_pd_proc_ls_prof_cwr_expected    12.9594
_pd_proc_ls_prof_chi2            2.8163
_pd_proc_ls_prof_echi2           2.8163
Refining hydrogen positions in α-FeOOH through combined neutron diffraction and computational techniques.
Nambu, Yusuke; Kuwabara, Akihide; Kawamata, Masahiro; Mori, Seira; Okazaki, Megumi; Maeda, Kazuhiko; Dalton transactions (Cambridge, England : 2003)  (2026) –; doi:10.1039/d5dt00217f

data_7720760
_publ_section_title
;
 Refining hydrogen positions in &#x3b1;-FeOOH through combined neutron
 diffraction and computational techniques.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5780
_journal_page_last               5787
_journal_paper_doi               10.1039/d5dt00217f
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'Fe H O2'
_chemical_name_common            Goethite
_chemical_name_systematic        alpha-FeOOH
_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_space_group_name_H-M   'P n m a'
_audit_update_record
;
2026-03-05 deposited with the CCDC.	2026-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.9544(3)
_cell_length_b                   3.02469(10)
_cell_length_c                   4.60406(17)
_cell_measurement_temperature    430.1(9)
_cell_volume                     138.624(8)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      430.1(9)
_diffrn_measurement_device_type  powder
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.34171
_diffrn_source                   'nuclear reactor'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.050019
_pd_meas_2theta_range_max        153.64999
_pd_meas_2theta_range_min        3.00000
_pd_meas_number_of_points        3014
_pd_proc_2theta_range_inc        0.050019
_pd_proc_2theta_range_max        154.3800
_pd_proc_2theta_range_min        3.7300
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        2.8794
_pd_proc_ls_prof_wR_expected     1.8968
_pd_proc_ls_prof_wR_factor       3.7281
_pd_proc_wavelength              1.341709
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     27
_refine_ls_number_reflns         321
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            11.4565
_cod_data_source_file            d5dt00217f2.cif
_cod_data_source_block           Nuclear_CCDC8
_cod_depositor_comments
'Adding full bibliography for 7720752--7720761.cif.'
_cod_original_sg_symbol_H-M      Pnma
_cod_original_formula_sum        'Fe O2 H'
_cod_database_code               7720760
_struct_title                    'alpha-FeOOH at 430.1(9) K'
_pd_proc_ls_prof_cr_factor       21.4878
_pd_proc_ls_prof_cwr_factor      20.4026
_pd_proc_ls_prof_cwr_expected    10.3807
_pd_proc_ls_prof_chi2            3.8629
_pd_proc_ls_prof_echi2           3.8629
Refining hydrogen positions in α-FeOOH through combined neutron diffraction and computational techniques.
Nambu, Yusuke; Kuwabara, Akihide; Kawamata, Masahiro; Mori, Seira; Okazaki, Megumi; Maeda, Kazuhiko; Dalton transactions (Cambridge, England : 2003)  (2026) –; doi:10.1039/d5dt00217f

data_7720761
_publ_section_title
;
 Refining hydrogen positions in &#x3b1;-FeOOH through combined neutron
 diffraction and computational techniques.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5780
_journal_page_last               5787
_journal_paper_doi               10.1039/d5dt00217f
_journal_volume                  55
_journal_year                    2026
_chemical_formula_sum            'Fe H O2'
_chemical_name_common            Goethite
_chemical_name_systematic        alpha-FeOOH
_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_space_group_name_H-M   'P n m a'
_audit_update_record
;
2026-03-05 deposited with the CCDC.	2026-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.9480(3)
_cell_length_b                   3.02046(11)
_cell_length_c                   4.60057(18)
_cell_measurement_temperature    326(1)
_cell_volume                     138.236(8)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      326(1)
_diffrn_measurement_device_type  powder
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.34171
_diffrn_source                   'nuclear reactor'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.050019
_pd_meas_2theta_range_max        153.64999
_pd_meas_2theta_range_min        3.00000
_pd_meas_number_of_points        3014
_pd_proc_2theta_range_inc        0.050019
_pd_proc_2theta_range_max        154.3860
_pd_proc_2theta_range_min        3.7360
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        3.4091
_pd_proc_ls_prof_wR_expected     2.6209
_pd_proc_ls_prof_wR_factor       4.3454
_pd_proc_wavelength              1.341709
_pd_spec_mounting                ' ?'
_refine_ls_number_parameters     28
_refine_ls_number_reflns         319
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            12.5764
_cod_data_source_file            d5dt00217f2.cif
_cod_data_source_block           Nuclear_CCDC9
_cod_depositor_comments
'Adding full bibliography for 7720752--7720761.cif.'
_cod_original_cell_volume        138.236(9)
_cod_original_sg_symbol_H-M      Pnma
_cod_original_formula_sum        'Fe O2 H'
_cod_database_code               7720761
_struct_title                    'alpha-FeOOH at 326(1) K'
_pd_proc_ls_prof_cr_factor       25.2945
_pd_proc_ls_prof_cwr_factor      23.4595
_pd_proc_ls_prof_cwr_expected    14.1497
_pd_proc_ls_prof_chi2            2.7488
_pd_proc_ls_prof_echi2           2.7488
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_7720890
_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 H12 Mn N10'
_chemical_formula_weight         375.280
_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 2026.03.20 svn.r2bc28608 for OlexSys, GUI svn.r7530)

;
_audit_update_record             2026-04-02
_cell_angle_alpha                105.623(2)
_cell_angle_beta                 95.191(2)
_cell_angle_gamma                95.659(2)
_cell_formula_units_Z            1
_cell_length_a                   6.5882(3)
_cell_length_b                   7.5176(3)
_cell_length_c                   9.0759(4)
_cell_volume                     427.57(3)
_refine_ls_R_factor_all          0.034
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           hmof-1
_cod_depositor_comments
'Adding full bibliography for 7720890--7720903.cif.'
_cod_original_cell_volume        427.6(0)
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               7720890
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_7720891
_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            'C12 Cu3 N18'
_chemical_formula_weight         586.920
_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'
_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                 90.367(7)
_cell_angle_gamma                90.000
_cell_formula_units_Z            1
_cell_length_a                   3.5975(3)
_cell_length_b                   11.1629(10)
_cell_length_c                   10.9044(9)
_cell_volume                     437.90(6)
_refine_ls_R_factor_all          0.078
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           cu-dca
_cod_depositor_comments
'Adding full bibliography for 7720890--7720903.cif.'
_cod_original_cell_volume        437.9(1)
_cod_original_sg_symbol_Hall     -P_2yn
_cod_database_code               7720891
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_7720892
_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 H12 Fe N10'
_chemical_formula_weight         376.190
_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 2026.03.20 svn.r2bc28608 for OlexSys, GUI svn.r7530)

;
_audit_update_record             2026-04-02
_cell_angle_alpha                107.159(2)
_cell_angle_beta                 95.181(2)
_cell_angle_gamma                95.884(2)
_cell_formula_units_Z            1
_cell_length_a                   6.5399(4)
_cell_length_b                   7.4726(5)
_cell_length_c                   9.0978(5)
_cell_volume                     419.17(4)
_refine_ls_R_factor_all          0.039
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           hmof-2
_cod_depositor_comments
'Adding full bibliography for 7720890--7720903.cif.'
_cod_original_cell_volume        419.2(0)
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               7720892
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_7720893
_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 H12 Co N10'
_chemical_formula_weight         379.270
_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            4
_cell_length_a                   7.2861(3)
_cell_length_b                   16.7265(12)
_cell_length_c                   14.2501(8)
_cell_volume                     1736.67(17)
_refine_ls_R_factor_all          0.032
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           hmof-3
_cod_depositor_comments
'Adding full bibliography for 7720890--7720903.cif.'
_cod_original_cell_volume        1736.7(2)
_cod_original_sg_symbol_Hall     -C_2bc_2
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               7720893
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_7720894
_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 H12 N10 Ni'
_chemical_formula_weight         379.050
_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            4
_cell_length_a                   7.2439(4)
_cell_length_b                   16.6922(13)
_cell_length_c                   14.1757(9)
_cell_volume                     1714.1(2)
_refine_ls_R_factor_all          0.055
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           hmof-4
_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               7720894
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_7720895
_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 H12 Cu N10'
_chemical_formula_weight         383.880
_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 2026.03.20 svn.r2bc28608 for OlexSys, GUI svn.r7530)

;
_audit_update_record             2026-04-02
_cell_angle_alpha                105.488(2)
_cell_angle_beta                 97.142(2)
_cell_angle_gamma                95.340(2)
_cell_formula_units_Z            1
_cell_length_a                   6.5609(2)
_cell_length_b                   7.4437(2)
_cell_length_c                   8.8238(3)
_cell_volume                     408.45(2)
_refine_ls_R_factor_all          0.028
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           hmof-5
_cod_depositor_comments
'Adding full bibliography for 7720890--7720903.cif.'
_cod_original_cell_volume        408.5(0)
_cod_original_sg_symbol_Hall     -P_1
_cod_database_code               7720895
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_7720896
_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 Cu N20'
_chemical_formula_weight         763.140
_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)

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_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                   7.3096(3)
_cell_length_b                   16.6632(10)
_cell_length_c                   14.2318(8)
_cell_volume                     1733.45(16)
_refine_ls_R_factor_all          0.043
_cod_data_source_file            d6dt00163g2.cif
_cod_data_source_block           hmof-6
_cod_depositor_comments
'Adding full bibliography for 7720890--7720903.cif.'
_cod_original_cell_volume        1733.5(2)
_cod_original_sg_symbol_Hall     -C_2bc_2
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               7720896