LMucko/crystallography-open-database huggingface dataset:
Crystal structure of manganese acetate tetrahydrate
Bertaut, E. F.; Duc, T. Q.; Burlet, P.; Burlet, P.; Thomas, M.; Moreau, J. M.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 30 (1974) 2234–2236; doi:10.1107/S0567740874006807

data_2000119
_publ_section_title
;
 Crystal structure of manganese acetate tetrahydrate
;
_journal_issue                   9
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and
 Crystal Chemistry
;
_journal_page_first              2234
_journal_page_last               2236
_journal_paper_doi               10.1107/S0567740874006807
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'C8 H28 Mn2 O16'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 118.62(5)
_cell_angle_gamma                90
_cell_formula_units_Z            3
_cell_length_a                   11.10(1)
_cell_length_b                   17.51(2)
_cell_length_c                   9.09(1)
_cell_volume                     1550.874
_exptl_crystal_colour            pink
_refine_ls_R_factor_gt           0.049
_refine_ls_wR_factor_gt          0.049
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2000119
Structure cristalline du polychélate Zn-2,3-PYD.3H2O
Richard, P.; Qui, D. T.; Bertaut, E. F.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 30 (1974) 628–633; doi:10.1107/S0567740874003438

data_2000120
_publ_section_title
;
 Structure cristalline du polych\'elate Zn-2,3-PYD.3H2O
;
_journal_issue                   3
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and
 Crystal Chemistry
;
_journal_page_first              628
_journal_page_last               633
_journal_paper_doi               10.1107/S0567740874003438
_journal_volume                  30
_journal_year                    1974
_chemical_formula_sum            'C6 H8 N2 O7 Zn'
_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                130.11(4)
_cell_angle_beta                 87.10(4)
_cell_angle_gamma                100.32(5)
_cell_formula_units_Z            2
_cell_length_a                   6.488(3)
_cell_length_b                   9.873(7)
_cell_length_c                   9.999(6)
_cell_volume                     480.141
_exptl_crystal_density_diffrn    1.99
_refine_ls_R_factor_gt           0.05
_refine_ls_wR_factor_gt          0.05
_cod_original_formula_sum        'C6 H8 N2 O7 Zn1'
_cod_database_code               2000120
Structure cristalline du polychélate Co-2,3-PYD.3H2O
Richard, P.; Qui, D. T.; Bertaut, E. F.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 29 (1973) 1111–1115; doi:10.1107/S056774087300395X

data_2000121
_publ_section_title
;
 Structure cristalline du polych\'elate Co-2,3-PYD.3H2O
;
_journal_issue                   5
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and
 Crystal Chemistry
;
_journal_page_first              1111
_journal_page_last               1115
_journal_paper_doi               10.1107/S056774087300395X
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'C12 H12 Co2 N4 O12'
_space_group_IT_number           54
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      54
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.037(3)
_cell_length_b                   13.977(5)
_cell_length_c                   15.478(5)
_cell_volume                     1738.692
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.98
_refine_ls_R_factor_gt           0.034
_refine_ls_wR_factor_gt          0.034
_cod_database_code               2000121
Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations
Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi; Journal of Solid State Chemistry 110 (1994) 20–27; doi:10.1006/jssc.1994.1129

data_2000122
_publ_section_title
;
 Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron
 Diffraction and High-Resolution Solid State 13C NMR Investigations
;
_journal_issue                   1
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              20
_journal_page_last               27
_journal_paper_doi               10.1006/jssc.1994.1129
_journal_volume                  110
_journal_year                    1994
_chemical_formula_sum            'C6 D4 I2'
_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            4
_cell_length_a                   17.0
_cell_length_b                   7.323
_cell_length_c                   6.168
_cell_volume                     767.860
_diffrn_radiation_probe          neutron
_refine_ls_R_factor_gt           0.121
_refine_ls_wR_factor_gt          0.121
_cod_database_code               2000122
Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations
Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi; Journal of Solid State Chemistry 110 (1994) 20–27; doi:10.1006/jssc.1994.1129

data_2000123
_publ_section_title
;
 Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron
 Diffraction and High-Resolution Solid State 13C NMR Investigations
;
_journal_issue                   1
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              20
_journal_page_last               27
_journal_paper_doi               10.1006/jssc.1994.1129
_journal_volume                  110
_journal_year                    1994
_chemical_formula_sum            'C6 D4 I2'
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.092
_cell_length_b                   7.461
_cell_length_c                   6.154
_cell_volume                     784.779
_diffrn_ambient_temperature      333
_diffrn_radiation_probe          neutron
_refine_ls_R_factor_gt           0.131
_refine_ls_wR_factor_gt          0.131
_cod_database_code               2000123
Mu-17: a new member of the gallophosphate family prepared by the fluoride route
Matijasic, Alain; Gramlich, Volker; Patarin, Joël; Solid State Sciences 3 (2001) 155–167; doi:10.1016/S1293-2558(00)01122-5

data_2000124
_publ_section_title
;
 Mu-17: a new member of the gallophosphate family prepared by the fluoride route
;
_journal_issue                   1-2
_journal_name_full               'Solid State Sciences'
_journal_page_first              155
_journal_page_last               167
_journal_paper_doi               10.1016/S1293-2558(00)01122-5
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'C10 H39 F2 Ga6 N6 O30 P7'
_chemical_name_common
;
catena-(3-(2-Ammonioethylammonio)propylammonium Mu-17)
;
_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                76.07(11)
_cell_angle_beta                 72.38(7)
_cell_angle_gamma                65.20(7)
_cell_formula_units_Z            2
_cell_length_a                   10.283(11)
_cell_length_b                   12.096(12)
_cell_length_c                   16.911(19)
_cell_volume                     1804.075
_diffrn_ambient_temperature      293
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.571
_exptl_crystal_description       prism
_refine_ls_R_factor_gt           0.0316
_refine_ls_wR_factor_gt          0.0316
_cod_database_code               2000124
Synthesis, characterization and structure determination of a new fluorogallophosphate (Mu-3) prepared in the presence of ethylene glycol as main solvent
Reinert, P.; Patarin, J.; Loiseau, T.; Férey, G.; Kessler, H.; Microporous and Mesoporous Materials 22 (1998) 43–55; doi:10.1016/S1387-1811(98)00085-7

data_2000125
_publ_section_title
;
 Synthesis, characterization and structure determination of a new
 fluorogallophosphate (Mu-3) prepared in the presence of ethylene
 glycol as main solvent
;
_journal_issue                   1-3
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              43
_journal_page_last               55
_journal_paper_doi               10.1016/S1387-1811(98)00085-7
_journal_volume                  22
_journal_year                    1998
_chemical_formula_sum            'C22 H52 F4 Ga4 N4 O16 P4'
_chemical_melting_point          573.15
_space_group_IT_number           143
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      143
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   20.0746(2)
_cell_length_b                   20.0746(2)
_cell_length_c                   8.5839(1)
_cell_volume                     2995.774
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.842
_exptl_crystal_description       'hexagonal prism'
_refine_ls_R_factor_gt           0.0576
_refine_ls_wR_factor_gt          0.0576
_cod_database_code               2000125
Synthesis and structure of Mu-4, the new layered aluminophosphate [(C~2~H~5~)~2~NH~2~]~4~[Al~8~P~10~O~40~H~2~] · [H~2~O]~2.5~
Vidal, L.; Gramlich, V.; Patarin, J.; Gabelica, Z.; European Journal of Solid State and Inorganic Chemistry 35 (1998) 545–563; doi:10.1016/S0992-4361(99)80018-6

data_2000126
_publ_section_title
;
 Synthesis and structure of Mu-4, the new layered aluminophosphate
 [(C~2~H~5~)~2~NH~2~]~4~[Al~8~P~10~O~40~H~2~] &#x00B7; [H~2~O]~2.5~
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   8-9
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              545
_journal_page_last               563
_journal_paper_doi               10.1016/S0992-4361(99)80018-6
_journal_volume                  35
_journal_year                    1998
_chemical_formula_sum            'C8 H27.5 Al4 N2 O21.25 P5'
_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                86.66(5)
_cell_angle_beta                 82.20(4)
_cell_angle_gamma                89.28(5)
_cell_formula_units_Z            2
_cell_length_a                   8.632(4)
_cell_length_b                   9.267(7)
_cell_length_c                   17.461(10)
_cell_volume                     1381.464
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.814
_refine_ls_R_factor_gt           0.0456
_refine_ls_wR_factor_gt          0.0456
_cod_database_code               2000126
Synthesis, Characterization and Structure of Mu-7, a New Layered Aluminophosphate with a 4 × 8 Network
Vidal, L.; Gramlich, V.; Patarin, J.; Gabelica, Z.; Chemical Letters 28 (1999) 201–202; doi:10.1246/cl.1999.201

data_2000127
_publ_section_title
;
 Synthesis, Characterization and Structure of Mu-7, a New Layered
 Aluminophosphate with a 4 \\times   8 Network
;
_journal_issue                   3
_journal_name_full               'Chemical Letters'
_journal_page_first              201
_journal_page_last               202
_journal_paper_doi               10.1246/cl.1999.201
_journal_volume                  28
_journal_year                    1999
_chemical_formula_sum            'C3 H18 Al3 N3 O16 P4'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.40(7)
_cell_angle_beta                 89.45(8)
_cell_angle_gamma                85.37(7)
_cell_formula_units_Z            2
_cell_length_a                   8.368(7)
_cell_length_b                   11.274(10)
_cell_length_c                   11.462(12)
_cell_volume                     1027.230
_diffrn_ambient_temperature      ?
_exptl_crystal_description       plate
_cod_database_code               2000127
Mu-7, a New Layered Aluminophosphate [CH~3~NH~3~]~3~[Al~3~P~4~O~16~] with a 4 × 8 Network: Characterization, Structure, and Possible Crystallization Mechanism
Vidal, L.; Marichal, C.; Gramlich, V.; Patarin, J.; Gabelica, Z.; Chemistry of Materials 11 (1999) 2728–2736; doi:10.1021/cm991027o

data_2000128
_publ_section_title
;
 Mu-7, a New Layered Aluminophosphate [CH~3~NH~3~]~3~[Al~3~P~4~O~16~]
 with a 4 \\times  8 Network: Characterization, Structure, and Possible
 Crystallization Mechanism
;
_journal_coden_ASTM              CMATEX
_journal_issue                   10
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2728
_journal_page_last               2736
_journal_paper_doi               10.1021/cm991027o
_journal_volume                  11
_journal_year                    1999
_chemical_formula_sum            'C3 H18 Al3 N3 O16 P4'
_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                72.40(7)
_cell_angle_beta                 89.45(8)
_cell_angle_gamma                85.35(7)
_cell_formula_units_Z            2
_cell_length_a                   8.368(7)
_cell_length_b                   11.274(10)
_cell_length_c                   11.462(12)
_cell_volume                     1027.199
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.801
_refine_ls_R_factor_gt           0.0372
_refine_ls_wR_factor_gt          0.0372
_cod_database_code               2000128
Synthesis and characterization of the new microporous fluorogallophosphate Mu-2 with a novel framework topology
Reinert, P.; Marler, B.; Patarin, J.; Chemical Communications  (1998) 1769–1770; doi:10.1039/a803423k

data_2000129
_publ_section_title
;
 Synthesis and characterization of the new microporous fluorogallophosphate
 Mu-2 with a novel framework topology
;
_journal_issue                   16
_journal_name_full               'Chemical Communications'
_journal_page_first              1769
_journal_page_last               1770
_journal_paper_doi               10.1039/a803423k
_journal_year                    1998
_chemical_formula_sum            'C54 H166 F6 Ga32 N12 O148 P32'
_space_group_IT_number           197
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   16.3782(2)
_cell_length_b                   16.3782(2)
_cell_length_c                   16.3782(2)
_cell_volume                     4393.377
_refine_ls_R_factor_gt           0.077
_refine_ls_wR_factor_gt          0.077
_cod_database_code               2000129
Synthesis and structure of [Zn~8~(HPO~4~)~8~(H~2~PO~4~)~8~] · [(C~2~H~8~N)~8~] · 4H~2~O
Reinert, P.; Zabukovec Logar, N.; Patarin, J.; Kaucic, V.; European Journal of Solid State and Inorganic Chemistry 35 (1998) 373–387; doi:10.1016/S0992-4361(98)80433-5

data_2000130
_publ_section_title
;
 Synthesis and structure of
 [Zn~8~(HPO~4~)~8~(H~2~PO~4~)~8~] &#x00B7; [(C~2~H~8~N)~8~] &#x00B7; 4H~2~O
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   4-5
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              373
_journal_page_last               387
_journal_paper_doi               10.1016/S0992-4361(98)80433-5
_journal_volume                  35
_journal_year                    1998
_chemical_formula_sum            'C16 H96 N8 O68 P16 Zn8'
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.793(5)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.6450(7)
_cell_length_b                   10.8477(5)
_cell_length_c                   14.6311(4)
_cell_volume                     1983.348
_exptl_crystal_density_diffrn    2.1
_refine_ls_R_factor_gt           0.062
_refine_ls_wR_factor_gt          0.062
_cod_duplicate_entry             1004025
_cod_depositor_comments
;
 Removing symmetrically equivalent atoms and correcting the summary chemical
 formula.

 Antanas Vaitkus,
 2018-01-24
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               2000130
Synthesis and structure of [Zn~6~(H~2~O)~8~(HPO~4~)~4~(HPO~3~O)~4~] · 2[H~2~N~2~C~6~H~16~]
Reinert, P.; Khatyr, A.; Marler, B.; Patarin, J.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1211–1225; doi:

data_2000131
_publ_section_title
;
 Synthesis and structure of
 [Zn~6~(H~2~O)~8~(HPO~4~)~4~(HPO~3~O)~4~] &#x00B7; 2[H~2~N~2~C~6~H~16~]
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   11
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              1211
_journal_page_last               1225
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'C6 H30 N2 O20 P4 Zn3'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 96.01(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.932(1)
_cell_length_b                   9.693(1)
_cell_length_c                   13.503(2)
_cell_volume                     1162.635
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    2.2
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_gt          0.035
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2000131
Crystal structure of a novel porous MeAPO phase: ZAPO-M1, {N(CH~3~)~4~}~8~[Zn~8~Al~24~P~32~O~128~]
Marler, Bernd; Patarin, Joel; Sierra, Ligia; Microporous Materials 5 (1995) 151–159; doi:10.1016/0927-6513(95)00056-F

data_2000132
_publ_section_title
;
 Crystal structure of a novel porous MeAPO phase: ZAPO-M1,
 {N(CH~3~)~4~}~8~[Zn~8~Al~24~P~32~O~128~]
;
_journal_issue                   3
_journal_name_full               'Microporous Materials'
_journal_page_first              151
_journal_page_last               159
_journal_paper_doi               10.1016/0927-6513(95)00056-F
_journal_volume                  5
_journal_year                    1995
_chemical_formula_sum            'C32 H98 Al24 N8 O129 P32 Zn8'
_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            1
_cell_length_a                   14.226(2)
_cell_length_b                   15.117(2)
_cell_length_c                   17.557(2)
_cell_volume                     3775.711
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.11
_refine_ls_R_factor_gt           0.069
_refine_ls_wR_factor_gt          0.069
_cod_database_code               2000132
Synthesis and structure of Zn~2~(HPO~4~)~3~ · H~2~N~2~C~6~H~12~
Ahmadi, K.; Hardy, A.; Patarin, A.; Huve, L.; European Journal of Solid State and Inorganic Chemistry 32 (1995) 209–223; doi:

data_2000134
_publ_section_title
;
 Synthesis and structure of Zn~2~(HPO~4~)~3~ &#x00B7; H~2~N~2~C~6~H~12~
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   3
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              209
_journal_page_last               223
_journal_volume                  32
_journal_year                    1995
_chemical_formula_sum            'C6 H17 N2 O12 P3 Zn2'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.540(1)
_cell_length_b                   10.050(3)
_cell_length_c                   14.370(3)
_cell_volume                     1522.171
_exptl_crystal_density_diffrn    2.33
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_gt          0.035
_cod_database_code               2000134
Structure of (2,2'-bipyridine <i>N</i>,<i>N</i>'-dioxide)dichloro(methanol)copper(II), [Cu(bpyO~2~)(MeOH)Cl~2~]
Koman, M.; Baran, P.; Valigura, D.; Acta Crystallographica Section C 47 (1991) 2529–2531; doi:10.1107/S0108270191007424

data_2000136
_publ_section_title
;
 Structure of (2,2'-bipyridine
 <i>N</i>,<i>N</i>'-dioxide)dichloro(methanol)copper(II),
 [Cu(bpyO~2~)(MeOH)Cl~2~]
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2529
_journal_page_last               2531
_journal_paper_doi               10.1107/S0108270191007424
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C11 H12 Cl2 Cu N2 O3'
_chemical_formula_weight         354.68
_symmetry_cell_setting           monoclinic
_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                 90.300(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.420(5)
_cell_length_b                   8.545(2)
_cell_length_c                   19.001(4)
_cell_volume                     2666.0(12)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    6.133
_exptl_crystal_density_diffrn    1.767
_exptl_crystal_density_meas      1.77
_exptl_crystal_F_000             1432
_cod_data_source_file            mu0245.cif
_cod_data_source_block           mu0245a
_cod_original_cell_volume        2665.9(11)
_cod_original_formula_sum        'C11 H12 Cl2 Cu1 N2 O3'
_cod_database_code               2000136