LMucko/crystallography-open-database huggingface dataset:
Molecular dynamics in the solid state. the order - disorder transition of monoclinic sulfur
Goldsmith, L.M.; Strouse, C.E.; Journal of the American Chemical Society 99 (1977) 7580–7589; doi:

data_4124791
_publ_section_title
;
 Molecular dynamics in the solid state. the order - disorder transition of
 monoclinic sulfur
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7580
_journal_page_last               7589
_journal_volume                  99
_journal_year                    1977
_chemical_formula_sum            S8
_space_group_IT_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                 95.71
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   10.799
_cell_length_b                   10.684
_cell_length_c                   10.663
_cell_volume                     1224.156
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Goldsmith_JACSAT_1977_423.cif
_cod_data_source_block           S8
_cod_database_code               4124791
Synthesis and structure of La14 V6 Cu O36.5: a transparent Cu(I) vanadate containing (O Cu O)(3-) sticks
Gopalakrishnan, J.; Eichhorn, B.W.; Gonen, Z.S.; Fettinger, J.C.; Chang, K.-S.; Mandal, T.K.; Takeuchi, I.; Greene, R.L.; Journal of Materials Chemistry 12 (2002) 3839–3842; doi:

data_7223710
_publ_section_title
;
 Synthesis and structure of La14 V6 Cu O36.5: a transparent Cu(I) vanadate
 containing (O Cu O)(3-) sticks
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              3839
_journal_page_last               3842
_journal_volume                  12
_journal_year                    2002
_chemical_formula_sum            'Cu La14 O36.5 V6'
_chemical_name_systematic        'La14 Cu V6 O36.5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.083
_cell_angle_beta                 64.141
_cell_angle_gamma                87.847
_cell_formula_units_Z            1
_cell_length_a                   9.7375
_cell_length_b                   9.9167
_cell_length_c                   10.3684
_cell_volume                     900.163
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Gopalakrishnan_JMACEP_2002_492.cif
_cod_data_source_block           Cu1La14O36.5V6
_cod_original_cell_volume        900.1633
_cod_original_formula_sum        'Cu1 La14 O36.5 V6'
_cod_database_code               7223710
The crystal structure of dachiardite
Gottardi, G.; Meier, W.M.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 119 (1963) 53–64; doi:

data_8104358
_publ_section_title
;
 The crystal structure of dachiardite
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              53
_journal_page_last               64
_journal_volume                  119
_journal_year                    1963
_chemical_formula_sum            'Al5.2 Ca1.7 H25.4 K0.7 Na1.1 O60.7 Si18.8'
_chemical_name_systematic
'(Na1.1 K0.7 Ca1.7) (Al5.2 Si18.8 O48) (H2 O)12.7'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-B 2'
_symmetry_space_group_name_H-M   'B 1 1 2/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                107.9
_cell_formula_units_Z            1
_cell_length_a                   18.73
_cell_length_b                   10.3
_cell_length_c                   7.54
_cell_volume                     1384.198
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Gottardi_ZEKGAX_1963_633.cif
_cod_data_source_block           H25.4Al5.2Ca1.7K0.7Na1.1O60.7Si18.8
_cod_original_sg_symbol_Hall     '-C 2y (-x,z,y)'
_cod_original_formula_sum        'H25.4 Al5.2 Ca1.7 K0.7 Na1.1 O60.7 Si18.8'
_cod_database_code               8104358
On faults in the framework structure of the zeolite ferrierite
Gramlich-Meier, R.; Meier, W.M.; Smith, B.K.; Zeitschrift fuer Kristallographie (149,1979-) 169 (1984) 201–210; doi:

data_8104359
_publ_section_title
;
 On faults in the framework structure of the zeolite ferrierite
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              201
_journal_page_last               210
_journal_volume                  169
_journal_year                    1984
_chemical_formula_sum            'Al7 Ca0.5 H45.28 K0.8 Mg2 Na0.2 O94.64 Si29'
_chemical_name_systematic
'(Na0.2 K0.8) Ca0.5 Mg2 (Al7 Si29 O72) (H2 O)22.64'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   19.22
_cell_length_b                   14.124
_cell_length_c                   7.493
_cell_volume                     2034.074
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Gramlich-Meier_ZEKRDZ_1984_1970.cif
_cod_data_source_block           H45.28Al7Ca0.5K0.8Mg2Na0.2O94.64Si29
_cod_original_formula_sum        'H45.28 Al7 Ca0.5 K0.8 Mg2 Na0.2 O94.64 Si29'
_cod_database_code               8104359
Phosphaborane chemistry. Syntheses and calculated molecular structures of mono- and di-chloro derivatives of 1,2-diphospha-closo-dodecaborane(10)
Gruener, B.; Hnyk, D.; Stibr, B.; Cisarova, I.; Plzak, Z.; Journal of the Chemical Society. Dalton Transactions 2002 (2002) 2954–2959; doi:

data_7037804
_publ_section_title
;
 Phosphaborane chemistry. Syntheses and calculated molecular structures of
 mono- and di-chloro derivatives of 1,2-diphospha-closo-dodecaborane(10)
;
_journal_name_full
'Journal of the Chemical Society. Dalton Transactions'
_journal_page_first              2954
_journal_page_last               2959
_journal_volume                  2002
_journal_year                    2002
_chemical_formula_sum            'B10 Cl2 H8 P2'
_chemical_name_systematic        'Cl2 (P2 B10 H8)'
_space_group_IT_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                   13.283
_cell_length_b                   12.311
_cell_length_c                   13.786
_cell_volume                     2254.383
_citation_journal_id_ASTM        JCSDAA
_cod_data_source_file            Gruener_JCSDAA_2002_486.cif
_cod_data_source_block           H8B10Cl2P2
_cod_original_formula_sum        'H8 B10 Cl2 P2'
_cod_database_code               7037804
Untersuchung der Systeme Ba3 P2 - Ba X2 mit X Cl, Br, J
Hadenfeldt, C.; Zeitschrift fuer Anorganische und Allgemeine Chemie 436 (1977) 113–121; doi:

data_1541689
_publ_section_title
;
 Untersuchung der Systeme Ba3 P2 - Ba X2 mit X Cl, Br, J
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              113
_journal_page_last               121
_journal_volume                  436
_journal_year                    1977
_chemical_formula_sum            'Ba16 Br1.59 P10.14'
_chemical_name_systematic        'Ba16 P10.14 Br1.59'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.806
_cell_length_b                   9.806
_cell_length_c                   9.806
_cell_volume                     942.922
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hadenfeldt_ZAACAB_1977_415.cif
_cod_data_source_block           Ba16Br1.59P10.14
_cod_original_cell_volume        942.9217
_cod_database_code               1541689
The Structural Basis of Ferroelectricity in Colemanite
Hainsworth, F.N.; Petch, H.E.; Canadian Journal of Physics 44 (1966) 3083–3107; doi:

data_1541690
_publ_section_title
;
 The Structural Basis of Ferroelectricity in Colemanite
;
_journal_name_full               'Canadian Journal of Physics'
_journal_page_first              3083
_journal_page_last               3107
_journal_volume                  44
_journal_year                    1966
_chemical_formula_sum            'B3 Ca H5 O8'
_chemical_name_systematic        'Ca B3 O4 (O H)3 H2 O'
_space_group_IT_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                 110.12
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.743
_cell_length_b                   11.264
_cell_length_c                   6.102
_cell_volume                     564.260
_citation_journal_id_ASTM        CJPHAD
_cod_data_source_file            Hainsworth_CJPHAD_1966_705.cif
_cod_data_source_block           H5B3Ca1O8
_cod_original_cell_volume        564.2596
_cod_original_formula_sum        'H5 B3 Ca1 O8'
_cod_database_code               1541690
Die Kristallstruktur des Kaliummetagermanats, K2 Ge O3
Halwax, E.; Voellenkle, H.; Zeitschrift fuer Kristallographie (149,1979-) 169 (1984) 63–71; doi:

data_8104360
_publ_section_title
;
 Die Kristallstruktur des Kaliummetagermanats, K2 Ge O3
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              63
_journal_page_last               71
_journal_volume                  169
_journal_year                    1984
_chemical_formula_sum            'Ge K2 O3'
_chemical_name_systematic        'K2 Ge O3'
_space_group_IT_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            40
_cell_length_a                   23.033
_cell_length_b                   32.887
_cell_length_c                   5.453
_cell_volume                     4130.573
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Halwax_ZEKRDZ_1984_1973.cif
_cod_data_source_block           Ge1K2O3
_cod_original_formula_sum        'Ge1 K2 O3'
_cod_database_code               8104360
Etude structurale de la serie des hexacyanoferrates(II,III) d'hydrogene: H3+x (Fe(II)x Fe(III)1-x (C N)6)(H2 O)y. III. La phase rhomboedr. R, H(II)0.6 Fe(II)3.6 Fe(III)0.4 (C N)6) (H2 O)1.6 et...
Haser, R.; Pierrot, M.; Acta Crystallographica B (24,1968-38,1982) 28 (1972) 2542–2547; doi:

data_2107350
_publ_section_title
;
 Etude structurale de la serie des hexacyanoferrates(II,III) d'hydrogene:
 H3+x (Fe(II)x Fe(III)1-x (C N)6)(H2 O)y. III. La phase rhomboedr. R,
 H(II)0.6 Fe(II)3.6 Fe(III)0.4 (C N)6) (H2 O)1.6 et...
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2542
_journal_page_last               2547
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'C6 H6.8 Fe N6 O1.6'
_chemical_name_systematic        'H3.6 (Fe (C N)6) (H2 O)1.6'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            15
_cell_length_a                   11.5
_cell_length_b                   11.5
_cell_length_c                   34.35
_cell_volume                     3934.169
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Haser_ACBCAR_1972_851.cif
_cod_data_source_block           C6H6.8Fe1N6O1.6
_cod_original_formula_sum        'C6 H6.8 Fe1 N6 O1.6'
_cod_database_code               2107350
Etude structurale de la serie des hexacyanofarrates(II,III) d'hydrogene: H3+x (Fe(II)x Fe(III)1-x (C N)6)(H2 O)y. IV. La phase monocl. M: H3.33 Fe(II)0.33 Fe(III)0.67 (C N)6)(H2 O)2.66,...
Haser, R.; Penel, C.; Pierrot, M.; Acta Crystallographica B (24,1968-38,1982) 28 (1972) 2548–2554; doi:

data_2107351
_publ_section_title
;
 Etude structurale de la serie des hexacyanofarrates(II,III) d'hydrogene:
 H3+x (Fe(II)x Fe(III)1-x (C N)6)(H2 O)y. IV. La phase monocl. M: H3.33
 Fe(II)0.33 Fe(III)0.67 (C N)6)(H2 O)2.66,...
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2548
_journal_page_last               2554
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'C6 H5.33 Fe N6 O'
_chemical_name_systematic        'H3.33 (Fe0.33 Fe0.67 (C N)6) (H2 O)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.55
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   28.98
_cell_length_b                   11.2
_cell_length_c                   6.11
_cell_volume                     1981.196
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Haser_ACBCAR_1972_861.cif
_cod_data_source_block           C6H5.33Fe1N6O1
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'C6 H5.33 Fe1 N6 O1'
_cod_database_code               2107351
The crystal chemistry of the amphiboles: V. The structure and chemistry of arfvedsonite
Hawthorne, F.C.; Canadian Mineralogist 14 (1976) 346–356; doi:

data_1541691
_publ_section_title
;
 The crystal chemistry of the amphiboles: V. The structure and chemistry
 of arfvedsonite
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              346
_journal_page_last               356
_journal_volume                  14
_journal_year                    1976
_chemical_formula_sum
'Al0.31 Ca0.16 F0.7 Fe4.52 H K0.71 Mg0.11 Mn0.13 Na2.14 O23.3 Si7.84 Ti0.09'
_chemical_name_systematic
;
K.71 Na2.14 Ca.16 Mg.11 Fe4.52 Mn.13 Ti.09 Al.31 Si7.84 O22.3 (O H) F.7
;
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.101
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.007
_cell_length_b                   18.077
_cell_length_c                   5.332
_cell_volume                     935.477
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Hawthorne_CAMIA6_1976_1614.cif
_cod_data_source_block
H1Al0.31Ca0.16F0.7Fe4.52K0.71Mg0.11Mn0.13Na2.14O23.3Si7.84Ti0.09
_cod_original_cell_volume        935.4766
_cod_original_formula_sum
;
H1 Al0.31 Ca0.16 F0.7 Fe4.52 K0.71 Mg0.11 Mn0.13 Na2.14 O23.3 Si7.84 Ti0.09
;
_cod_database_code               1541691
The crystal chemistry of the amphiboles: IV. X-Ray and neutron refinements of the crystal structure of tremolite
Hawthorne, F.C.; Grundy, H.D.; Canadian Mineralogist 14 (1976) 334–345; doi:

data_1541692
_publ_section_title
;
 The crystal chemistry of the amphiboles: IV. X-Ray and neutron
 refinements of the crystal structure of tremolite
;
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              334
_journal_page_last               345
_journal_volume                  14
_journal_year                    1976
_chemical_formula_sum
'Al0.2 Ca1.8 F0.66 Fe0.06 H1.34 K0.12 Mg4.94 Na0.38 O23.34 Si7.8'
_chemical_name_systematic
;
(Na0.38 K0.12 Ca1.8) Mg4.94 Fe0.06 ((Al0.2 Si7.8) O22) (O H)1.34 F0.66
;
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.79
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.863
_cell_length_b                   18.048
_cell_length_c                   5.285
_cell_volume                     909.600
_citation_journal_id_ASTM        CAMIA6
_cod_data_source_file            Hawthorne_CAMIA6_1976_1617.cif
_cod_data_source_block
H1.34Al0.2Ca1.8F0.66Fe0.06K0.12Mg4.94Na0.38O23.34Si7.8
_cod_original_cell_volume        909.5996
_cod_original_formula_sum
;
H1.34 Al0.2 Ca1.8 F0.66 Fe0.06 K0.12 Mg4.94 Na0.38 O23.34 Si7.8
;
_cod_database_code               1541692
On the crystal structure of (Pb4 (O H)4 )3 (C O3) (Cl O4)10 (H2 O)6
Hong, S.H.; Olin, A.; Acta Chemica Scandinavica (1-27,1973-42,1988) 27 (1973) 2309–2320; doi:

data_1541693
_publ_section_title
;
 On the crystal structure of (Pb4 (O H)4 )3 (C O3) (Cl O4)10 (H2 O)6
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              2309
_journal_page_last               2320
_journal_volume                  27
_journal_year                    1973
_chemical_formula_sum            'C H24 Cl10 O61 Pb12'
_chemical_name_systematic        '(Pb4 (O H)4 )3 (C O3) (Cl O4)10 (H2 O)6'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   14.121
_cell_length_b                   14.121
_cell_length_c                   16.316
_cell_volume                     2817.573
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Hong_ACSAA4_1973_980.cif
_cod_data_source_block           C1H24Cl10O61Pb12
_cod_original_formula_sum        'C1 H24 Cl10 O61 Pb12'
_cod_database_code               1541693
Studies of boranes. XLV. Crystal and molecular structure, improved synthesis, and reactions of tridecaborane(19)
Huffman, J.C.; Moody, D.C.; Schaeffer, R.; Inorganic Chemistry 15 (1976) 227–232; doi:

data_4344510
_publ_section_title
;
 Studies of boranes. XLV. Crystal and molecular structure, improved
 synthesis, and reactions of tridecaborane(19)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              227
_journal_page_last               232
_journal_volume                  15
_journal_year                    1976
_chemical_formula_sum            'B13 H19'
_space_group_IT_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                 97.69
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.217
_cell_length_b                   6.498
_cell_length_c                   19.719
_cell_volume                     1170.390
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Huffman_INOCAJ_1976_1599.cif
_cod_data_source_block           H19B13
_cod_original_cell_volume        1170.39
_cod_original_formula_sum        'H19 B13'
_cod_database_code               4344510
A Fourier analysis of the structure of tourmaline
Ito, T.; Sadanaga, R.; Acta Crystallographica (1,1948-23,1967) 4 (1951) 385–390; doi:

data_2311062
_publ_section_title
;
 A Fourier analysis of the structure of tourmaline
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              385
_journal_page_last               390
_journal_volume                  4
_journal_year                    1951
_chemical_formula_sum
'Al7.8 B3 Ca0.125 Fe0.1 H3 Li Mn0.1 Na0.875 O31 Si6'
_chemical_name_systematic
;
(Na.875 Ca.125) (Li Al2) (Al5.8 Fe.1 Mn.1) (B O3)3 (Si6 O18) O (O H)3
;
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   16
_cell_length_b                   16
_cell_length_c                   7.17
_cell_volume                     1589.607
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Ito_ACCRA9_1951_1793.cif
_cod_data_source_block           H3Al7.8B3Ca0.125Fe0.1Li1Mn0.1Na0.875O31Si6
_cod_original_formula_sum
'H3 Al7.8 B3 Ca0.125 Fe0.1 Li1 Mn0.1 Na0.875 O31 Si6'
_cod_database_code               2311062
Dodecacarbonyltetra-mue-hydrido-tetrahedro-tetraosmium
Johnson, B.F.G.; Zuccaro, C.; Lewis, J.; Raithby, P.R.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 1728–1731; doi:

data_2107352
_publ_section_title
;
 Dodecacarbonyltetra-mue-hydrido-tetrahedro-tetraosmium
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1728
_journal_page_last               1731
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'C12 H4 O12 Os4'
_chemical_name_systematic        'Os4 (C O)12 H4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.56
_cell_angle_beta                 82.71
_cell_angle_gamma                88.71
_cell_formula_units_Z            2
_cell_length_a                   9.811
_cell_length_b                   9.893
_cell_length_c                   10.24
_cell_volume                     982.823
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Johnson_ACBCAR_1981_1758.cif
_cod_data_source_block           C12H4O12Os4
_cod_database_code               2107352
The Crystal and Molecular Structure of Bis(biguanide)copper(II) Chloride Dihydrate
Kennard, C.H.L.; Smith, G.; O'Reilly, E.J.; Inorganica Chimica Acta 77 (1983) 113–115; doi:

data_1541694
_publ_section_title
;
 The Crystal and Molecular Structure of Bis(biguanide)copper(II) Chloride
 Dihydrate
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              113
_journal_page_last               115
_journal_volume                  77
_journal_year                    1983
_chemical_formula_sum            'C4 H18 Cl2 Cu N10 O2'
_chemical_name_systematic        'Cu (C2 H7 N5)2 Cl2 (H2 O)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                68.65
_cell_angle_beta                 72.91
_cell_angle_gamma                78.74
_cell_formula_units_Z            2
_cell_length_a                   6.801
_cell_length_b                   9.582
_cell_length_c                   12.485
_cell_volume                     720.748
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Kennard_ICHAA3_1983_1875.cif
_cod_data_source_block           C4H18Cl2Cu1N10O2
_cod_original_cell_volume        720.7476
_cod_original_formula_sum        'C4 H18 Cl2 Cu1 N10 O2'
_cod_database_code               1541694