LMucko/crystallography-open-database huggingface dataset:
An investigation into the unusual linkage isomerization and nitrite reduction activity of a novel tris(2-pyridyl) copper complex
Isolda Roger; Claire Wilson; Hans M. Senn; Stephen Sproules; Mark D. Symes; Royal Society Open Science 4 (2017) 170593–; doi:10.1098/rsos.170593

data_1548424
_publ_section_title
;
 An investigation into the unusual linkage isomerization and nitrite
 reduction activity of a novel tris(2-pyridyl) copper complex
;
_journal_name_full               'Royal Society Open Science'
_journal_page_first              170593
_journal_paper_doi               10.1098/rsos.170593
_journal_volume                  4
_journal_year                    2017
_chemical_formula_sum            'C18 H17 Cu N5 O5'
_chemical_formula_weight         446.90
_space_group_IT_number           2
_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                72.586(4)
_cell_angle_beta                 73.955(4)
_cell_angle_gamma                62.928(4)
_cell_formula_units_Z            2
_cell_length_a                   8.7123(17)
_cell_length_b                   8.7388(17)
_cell_length_c                   14.342(3)
_cell_volume                     915.0(3)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.24
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_F_000             458
_refine_ls_goodness_of_fit_ref   1.13
_refine_ls_number_parameters     311
_refine_ls_number_reflns         2653
_refine_ls_R_factor_gt           0.055
_refine_ls_wR_factor_gt          0.141
_cod_data_source_file            R-Soc-Open-Sci-2017-4-170593.cif
_cod_data_source_block           2015gu0007_0m
_cod_database_code               1548424
Low temperature synthesis, structure and magnetic properties of Mn2[VO4]F
Mori, D.; Yahia, H.B.; Shikano, M.; Imanishi, N.; Inaguma, Y.; Belharouak, I.; Journal of Asian Ceramic Societies 465 (2017) 5–460; doi:

data_1548446
_publ_section_title
;
 Low temperature synthesis, structure and magnetic properties of Mn2[VO4]F
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               460
_journal_volume                  465
_journal_year                    2017
_chemical_formula_sum            'F Mn2 O4 V'
_chemical_name_common            Mn2VO4F
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_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                 116.59(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.451(3)
_cell_length_b                   6.695(2)
_cell_length_c                   10.126(3)
_cell_volume                     815.4(5)
_cod_data_source_file            Mn2VO4F.cif
_cod_data_source_block           Mn2VO4F
_cod_original_formula_sum        'Mn2 V O4 F'
_cod_database_code               1548446
Total synthesis of atropurpuran
Jing Gong; Huan Chen; Xiao-Yu Liu; Zhi-Xiu Wang; Wei Nie; Yong Qin; Nature Communications 7 (2016) 12183–; doi:10.1038/ncomms12183

data_1548448
_publ_section_title
;
 Total synthesis of atropurpuran
;
_journal_name_full               'Nature Communications'
_journal_page_first              12183
_journal_paper_doi               10.1038/ncomms12183
_journal_volume                  7
_journal_year                    2016
_chemical_formula_sum            'C25 H40 O5 Si'
_chemical_formula_weight         448.66
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   11.5577(5)
_cell_length_b                   16.8408(7)
_cell_length_c                   24.6521(9)
_cell_volume                     4798.3(3)
_diffrn_ambient_temperature      293.15
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.131
_exptl_crystal_density_diffrn    1.242
_exptl_crystal_F_000             1852
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_number_parameters     4898
_refine_ls_number_reflns         286
_refine_ls_R_factor_all          0.0699
_refine_ls_R_factor_gt           0.0479
_refine_ls_wR_factor_gt          0.1143
_refine_ls_wR_factor_ref         0.1270
_cod_data_source_file            ncomms12183.cif
_cod_data_source_block           1
_cod_database_code               1548448
[2.2]Paracyclophane derivatives containing tetrathiafulvalene moieties
Laura G Sarbu; Lucian G Bahrin; Peter G Jones; Lucian M Birsa; Henning Hopf; Beilstein Journal of Organic Chemistry 11 (2015) 1917–1921; doi:10.3762/bjoc.11.207

data_4033275
_publ_section_title
;
 [2.2]Paracyclophane derivatives containing tetrathiafulvalene moieties
;
_journal_name_full               'Beilstein Journal of Organic Chemistry'
_journal_page_first              1917
_journal_page_last               1921
_journal_paper_doi               10.3762/bjoc.11.207
_journal_volume                  11
_journal_year                    2015
_chemical_formula_sum            'C21 H23 N O S2'
_chemical_formula_weight         369.52
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   11.8026(7)
_cell_length_b                   8.2761(4)
_cell_length_c                   37.697(3)
_cell_volume                     3682.2(4)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    2.677
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_F_000             1568
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_number_parameters     228
_refine_ls_number_reflns         3833
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0478
_refine_ls_wR_factor_gt          0.1116
_refine_ls_wR_factor_ref         0.1162
_cod_data_source_file            Beil-J-Org-Chem-11-1917-1.cif
_cod_data_source_block           perc
_cod_database_code               4033275
[2.2]Paracyclophane derivatives containing tetrathiafulvalene moieties
Laura G Sarbu; Lucian G Bahrin; Peter G Jones; Lucian M Birsa; Henning Hopf; Beilstein Journal of Organic Chemistry 11 (2015) 1917–1921; doi:10.3762/bjoc.11.207

data_4033276
_publ_section_title
;
 [2.2]Paracyclophane derivatives containing tetrathiafulvalene moieties
;
_journal_name_full               'Beilstein Journal of Organic Chemistry'
_journal_page_first              1917
_journal_page_last               1921
_journal_paper_doi               10.3762/bjoc.11.207
_journal_volume                  11
_journal_year                    2015
_chemical_formula_sum            'C19 H16 S3'
_chemical_formula_weight         340.50
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_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.
_cell_angle_beta                 93.560(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.4723(3)
_cell_length_b                   23.1083(8)
_cell_length_c                   9.2378(4)
_cell_volume                     1592.03(11)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    4.178
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_F_000             712
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_number_parameters     398
_refine_ls_number_reflns         6557
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0450
_refine_ls_wR_factor_gt          0.1203
_refine_ls_wR_factor_ref         0.1208
_cod_data_source_file            Beil-J-Org-Chem-11-1917-2.cif
_cod_data_source_block           dekel
_cod_original_cell_volume        1592.04(11)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4033276
Ochrocephalamine A, a new quinolizidine alkaloid from Oxytropis ochrocephala Bunge
Li-Na Liu; Jian-Qiang Ran; Li-Jun Li; Yu Zhao; Masuo Goto; Susan L. Morris-Natschke; Kuo-Hsiung Lee; Bao-Yu Zhao; Cheng-Jian Tan; Tetrahedron Letters 57 (2016) 5047–5049; doi:10.1016/j.tetlet.2016.10.009

data_1548452
_publ_section_title
;
 Ochrocephalamine A, a new quinolizidine alkaloid from Oxytropis
 ochrocephala Bunge
;
_journal_name_full               'Tetrahedron Letters'
_journal_page_first              5047
_journal_page_last               5049
_journal_paper_doi               10.1016/j.tetlet.2016.10.009
_journal_volume                  57
_journal_year                    2016
_chemical_formula_sum            'C30 H54 N4 O8'
_chemical_formula_weight         598.77
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_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.
_cell_angle_beta                 101.6050(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   13.0528(3)
_cell_length_b                   8.3014(2)
_cell_length_c                   14.8105(4)
_cell_volume                     1572.01(7)
_diffrn_ambient_temperature      100
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.745
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_F_000             652
_refine_ls_goodness_of_fit_ref   3.704
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4874
_refine_ls_R_factor_all          0.0542
_refine_ls_R_factor_gt           0.0538
_refine_ls_wR_factor_gt          0.1398
_refine_ls_wR_factor_ref         0.1402
_cod_data_source_file            Tet-Lett-2016-57-5047-5049.cif
_cod_data_source_block           cu_hhd10_0m
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1548452
Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide
P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford; Scientific Reports 6 (2016) 35685–; doi:10.1038/srep35685

data_1548453
_publ_section_title
;
 Structures, Phase Transitions and Tricritical Behavior of the Hybrid
 Perovskite Methyl Ammonium Lead Iodide
;
_journal_name_full               'Scientific Reports'
_journal_page_first              35685
_journal_paper_doi               10.1038/srep35685
_journal_volume                  6
_journal_year                    2016
_chemical_formula_sum            'C H0.378 D5.622 I3 N Pb'
_chemical_formula_weight         625.60
_space_group_IT_number           62
_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                   8.81155(6)
_cell_length_b                   12.58714(9)
_cell_length_c                   8.55975(6)
_cell_volume                     949.381(11)
_diffrn_ambient_temperature      10
_diffrn_radiation_probe          neutron
_exptl_crystal_density_diffrn    4.377
_pd_proc_ls_prof_wR_factor       0.0214
_refine_ls_goodness_of_fit_ref   2.71
_cod_data_source_file            Sci-Rep-2016-6-35685-1.cif
_cod_data_source_block           1
_cod_original_cell_volume        949.38(1)
_cod_original_formula_sum        'C D5.622 H0.378 N Pb I3'
_cod_database_code               1548453
The crystal structure and sodium disorder of high-temperature polymorph β-Na3PS4
Nishimura, Shin-ichi; Tanibata, Naoto; Hayashi, Akitoshi; Tatsumisago, Masahiro; Yamada, Atsuo; Journal of Materials Chemistry A 5 (2017) 25025–; doi:10.1039/C7TA08391B

data_7229732
_publ_section_title
;
 The crystal structure and sodium disorder of high-temperature polymorph
 \b-Na3PS4
;
_journal_issue                   47
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              25025
_journal_paper_doi               10.1039/C7TA08391B
_journal_volume                  5
_journal_year                    2017
_chemical_formula_iupac          'Na3 P S4'
_chemical_formula_moiety         '(Na 1+)3, (P S4)3-'
_chemical_formula_sum            'Na3 P S4'
_chemical_formula_weight         228.203071
_chemical_name_mineral           alpha-Na3PS4
_space_group_IT_number           114
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.9587(13)
_cell_length_b                   6.9587(13)
_cell_length_c                   7.0832(9)
_cell_measurement_temperature    300
_cell_volume                     342.99(10)
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type  BL02B2
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.70028
_exptl_crystal_density_diffrn    2.2096(7)
_exptl_crystal_description       powder
_exptl_crystal_F_000             224
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        45.
_pd_proc_2theta_range_min        4.
_pd_proc_wavelength              0.70028
_pd_spec_mounting                'quartz capillary'
_cod_data_source_file            alpha-Na3PS4_300K.cif
_cod_data_source_block           alphaNPS314
_cod_original_cell_volume        342.99(12)
_cod_original_sg_symbol_H-M      P-421c
_cod_database_code               7229732
The crystal structure and sodium disorder of high-temperature polymorph β-Na3PS4
Nishimura, Shin-ichi; Tanibata, Naoto; Hayashi, Akitoshi; Tatsumisago, Masahiro; Yamada, Atsuo; Journal of Materials Chemistry A 5 (2017) 25025–; doi:10.1039/C7TA08391B

data_7229733
_publ_section_title
;
 The crystal structure and sodium disorder of high-temperature polymorph
 \b-Na3PS4
;
_journal_issue                   47
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              25025
_journal_paper_doi               10.1039/C7TA08391B
_journal_volume                  5
_journal_year                    2017
_chemical_formula_iupac          'Na3 P S4'
_chemical_formula_moiety         '(Na 1+)3, (P S4)3-'
_chemical_formula_sum            'Na3 P S4'
_chemical_formula_weight         228.203071
_chemical_name_mineral           beta-Na3PS4
_space_group_IT_number           217
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.06985(4)
_cell_length_b                   7.06985(4)
_cell_length_c                   7.06985(4)
_cell_measurement_temperature    600
_cell_volume                     353.371(3)
_diffrn_ambient_temperature      600
_diffrn_measurement_device_type  BL02B2
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.70028
_exptl_crystal_density_diffrn    2.14472(4)
_exptl_crystal_description       powder
_exptl_crystal_F_000             224
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        58.
_pd_proc_2theta_range_min        4.
_pd_proc_wavelength              0.70028
_pd_spec_mounting                'quartz capillary'
_cod_data_source_file            beta-Na3PS4_600K.cif
_cod_data_source_block           betaNPS314
_cod_original_cell_volume        353.370(7)
_cod_original_sg_symbol_H-M      I-43m
_cod_database_code               7229733
Exploring Brønsted acids confined in the 10-ring channels of the zeolite ferrierite
Wang, Lei; Xu, Hongyi; Yan, Nana; Correll, Sascha; Xu, Shutao; Guo, Peng; Tian, Peng; Liu, Zhongmin; CrystEngComm 20 (2018) 699–; doi:10.1039/C7CE01967J

data_7229740
_publ_section_title
;
 Exploring Br\/onsted acids confined in the 10-ring channels of the
 zeolite ferrierite
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              699
_journal_paper_doi               10.1039/C7CE01967J
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety
'Al0.17 O9 Si4.33, 0.005(N40), 0.004(N36), 0.025(C40 H40), 0.019'
_chemical_formula_sum            'C1.68 H1.9 Al0.17 N0.34 Na0.17 O9 Si4.33'
_chemical_formula_weight         300.77
_chemical_name_common            As_made_FER
_space_group_IT_number           71
_space_group_name_Hall           '-I 2 2'
_space_group_name_H-M_alt        'I m m m'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_audit_update_record
;
2017-11-20 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.8501(4)
_cell_length_b                   14.1221(3)
_cell_length_c                   7.4387(2)
_cell_measurement_temperature    298
_cell_measurement_theta_max      60
_cell_measurement_theta_min      2.5
_cell_volume                     1980.20(8)
_computing_structure_refinement  Topas
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  Stoe
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           "'Cu Kalpha1'"
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    6.617
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.018
_exptl_crystal_F_000             1207.7
_pd_proc_ls_prof_R_factor        0.04261
_pd_proc_ls_prof_wR_expected     0.01792
_pd_proc_ls_prof_wR_factor       0.05836
_refine_ls_goodness_of_fit_all   3.256
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     73
_refine_ls_number_reflns         870
_refine_ls_R_I_factor            0.02280
_refine_ls_shift/su_max          0.001
_cod_data_source_file            c7ce01967j2.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7229740--7229741.cif.
;
_cod_original_formula_sum        'C1.68 H1.90 Al0.17 N0.34 Na0.17 O9 Si4.33'
_cod_database_code               7229740
Exploring Brønsted acids confined in the 10-ring channels of the zeolite ferrierite
Wang, Lei; Xu, Hongyi; Yan, Nana; Correll, Sascha; Xu, Shutao; Guo, Peng; Tian, Peng; Liu, Zhongmin; CrystEngComm 20 (2018) 699–; doi:10.1039/C7CE01967J

data_7229741
_publ_section_title
;
 Exploring Br\/onsted acids confined in the 10-ring channels of the
 zeolite ferrierite
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              699
_journal_paper_doi               10.1039/C7CE01967J
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C0.89 H1.19 Al0.33 N0.18 O19.12 Si8.67  '
_chemical_formula_sum            'C0.89 H1.19 Al0.33 N0.18 O19.12 Si8.67'
_chemical_formula_weight         572.74
_chemical_name_common            H_FER_Py
_chemical_name_systematic        zeolite
_space_group_IT_number           71
_space_group_name_Hall           '-I 2 2'
_space_group_name_H-M_alt        'I m m m'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_audit_update_record
;
2017-11-20 deposited with the CCDC.
2017-12-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.7891(5)
_cell_length_b                   14.0936(3)
_cell_length_c                   7.4327(2)
_cell_measurement_temperature    298
_cell_measurement_theta_max      55
_cell_measurement_theta_min      2.5
_cell_volume                     1968.22(9)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  Stoe
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Cu Kalpha1'
_diffrn_radiation_wavelength     1.5406
_exptl_absorpt_coefficient_mu    6.586
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.933
_exptl_crystal_F_000             1109.6
_pd_proc_ls_prof_R_factor        0.05529
_pd_proc_ls_prof_wR_expected     0.01583
_pd_proc_ls_prof_wR_factor       0.08258
_refine_ls_goodness_of_fit_all   5.215
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     86
_refine_ls_number_reflns         752
_refine_ls_R_I_factor            0.02529
_refine_ls_shift/su_max          0.001
_cod_data_source_file            c7ce01967j2.cif
_cod_data_source_block           I_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7229740--7229741.cif.
;
_cod_original_sg_symbol_Hall     '	-I 2 2'
_cod_original_formula_sum        'C0.89 H1.19 Al0.33 N0.18 O19.12 Si8.67    '
_cod_database_code               7229741