LMucko/crystallography-open-database huggingface dataset:
Crystal structure of bis(diaquamanganese(II))hexaacetatomanganese (II) octahydrate, ((H~2~O)~2~Mn)~2~(C~2~H~3~O~2~)~6~Mn · 8H~2~O
Li, Su-Yue; Li, Yong-Hui; Liu, Hua-Li; Zhu, Hai-Liang; Wang, Da-Qi; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 319–320; doi:

data_8100380
_publ_section_title
;
Crystal structure of bis(diaquamanganese(II))hexaacetatomanganese
(II) octahydrate, ((H~2~O)~2~Mn)~2~(C~2~H~3~O~2~)~6~Mn &#x00B7; 8H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              319
_journal_page_last               320
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C4 H14 Mn O8'
_chemical_formula_sum            'C4 H14 Mn O8'
_chemical_formula_weight         245.09
_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                90.00
_cell_angle_beta                 110.927(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   10.409(8)
_cell_length_b                   17.522(13)
_cell_length_c                   9.059(7)
_cell_measurement_temperature    298(2)
_cell_volume                     1543.2(19)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.582
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100380
Crystal structure of μ~2~-hydroxyl-bis(5-methyl-1,4,9-triazanonanezinc (II)) triperchlorate, C~14~H~39~Cl~3~N~6~O~13~Zn~2~
Zhu, Hai-Liang; Meng, Fan-Jin; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 321–322; doi:

data_8100381
_publ_section_title
;
Crystal structure of \m~2~-hydroxyl-bis(5-methyl-1,4,9-triazanonanezinc
(II)) triperchlorate, C~14~H~39~Cl~3~N~6~O~13~Zn~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              321
_journal_page_last               322
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'C14 H39 Cl3 N6 O13 Zn2'
_chemical_formula_sum            'C14 H39 Cl3 N6 O13 Zn2'
_chemical_formula_weight         736.60
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 104.29(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.802(2)
_cell_length_b                   12.121(3)
_cell_length_c                   15.662(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1435.3(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.704
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'MONOCLINIC' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               8100381
Crystal structure of 1,1,5,5-tetramethyl-1,2,5,6-tetrahydro-3a,4,7a, 8-tetraaza-s-indacene-3,7-dione, C~12~H~16~N~4~O~2~
Mrozek, Agnieszka; Karolak-Wojciechowska, Janina; Wejroch, Krystyna; Lange, Jerzy; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 331–332; doi:

data_8100382
_publ_contact_author_email       agmrozek@mail.p.lodz.pl
_publ_section_title
;
Crystal structure of 1,1,5,5-tetramethyl-1,2,5,6-tetrahydro-3a,4,7a,
8-tetraaza-s-indacene-3,7-dione, C~12~H~16~N~4~O~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              331
_journal_page_last               332
_journal_volume                  218
_journal_year                    2003
_chemical_formula_iupac          'C12 H16 N4 O2'
_chemical_formula_moiety         'C12 H16 N4 O2'
_chemical_formula_sum            'C12 H16 N4 O2'
_chemical_formula_weight         248.29
_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                90.00
_cell_angle_beta                 98.15(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.306(2)
_cell_length_b                   5.7550(10)
_cell_length_c                   11.499(2)
_cell_measurement_temperature    294(1)
_cell_volume                     609.6(2)
_diffrn_ambient_temperature      294(1)
_exptl_crystal_density_diffrn    1.353
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100382
Crystal structure of diaqua-(2-carboxyethylene-8-hydroxyquinolinato)- copper(II) monohydrate, Cu(C~12~H~9~O~3~N)(H~2~O)~2~ · H~2~O
Tanaka, Jun-Ichi; Itoh, Kuniaki; Setsune, Jun-Ichiro; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 333–334; doi:

data_8100383
_publ_section_title
;
Crystal structure of diaqua-(2-carboxyethylene-8-hydroxyquinolinato)-
copper(II) monohydrate, Cu(C~12~H~9~O~3~N)(H~2~O)~2~ &#x00B7; H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              333
_journal_page_last               334
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Cu[C12 H9 O3N (H2O)2] &#x00B7; 2H2O'
_chemical_formula_sum            'C12 H15 Cu N O6'
_chemical_formula_weight         332.79
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.438(4)
_cell_angle_beta                 100.846(4)
_cell_angle_gamma                106.334(4)
_cell_formula_units_Z            2
_cell_length_a                   7.3627(16)
_cell_length_b                   8.985(2)
_cell_length_c                   10.349(2)
_cell_measurement_temperature    298(2)
_cell_volume                     633.1(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.746
_refine_ls_R_factor_obs          0.0287
_refine_ls_wR_factor_obs         0.0726
_cod_original_formula_sum        'C12 H15 Cu1 N1 O6'
_cod_database_code               8100383
Crystal structure of 4,5-(ethoxyethylenedithio)-1,3-dithiole-2-thione, C~7~H~8~OS~5~
Xue, Gang; Yu, Wen-Tao; Fang, Qi; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 323–324; doi:

data_8100384
_publ_section_title
;
Crystal structure of 4,5-(ethoxyethylenedithio)-1,3-dithiole-2-thione, 
C~7~H~8~OS~5~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              323
_journal_page_last               324
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C7 H8 O S5'
_chemical_formula_structural     'C7 H8 O1 S5'
_chemical_formula_sum            'C7 H8 O S5'
_chemical_formula_weight         268.43
_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                90.00
_cell_angle_beta                 103.584(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.3699(7)
_cell_length_b                   17.5725(15)
_cell_length_c                   7.5305(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1076.60(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.656
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C7 H8 O1 S5'
_cod_database_code               8100384
Crystal structure of di[K(18-crown-6)]dirubidium nonagermanide(4–) diethylenediamine, [K(C~12~H~26~N~2~O~4~)]~2~Rb~2~[Ge~9~] · 2C~2~N~2~H~8~
Hauptmann, Ralf; Fässler, Thomas F.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 370–372; doi:

data_8100385
_publ_section_title
;Crystal structure of di[K(18-crown-6)]dirubidium nonagermanide(4--)
 diethylenediamine, [K(C~12~H~26~N~2~O~4~)]~2~Rb~2~[Ge~9~] &#x00B7;
 2C~2~N~2~H~8~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              370
_journal_page_last               372
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     '[K(diaza-18-crown-6)]2 Rb2 [Ge9](en)2'
_chemical_formula_sum            'C28 H68 Ge9 K2 N8 O8 Rb2'
_chemical_formula_weight         1547.35
_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                90.00
_cell_angle_beta                 97.28(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.864(3)
_cell_length_b                   12.091(2)
_cell_length_c                   26.466(5)
_cell_measurement_temperature    153(2)
_cell_volume                     5352.8(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.920
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100385
Crystal structure of bis(1-phenylimidazolium) tetrachlorocuprate(II), (C~9~H~9~N~2~)~2~(CuCl~4~)
Casellato, U.; Ettorre, R.; Graziani, R.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 343–344; doi:

data_8100386
_publ_section_title
;
Crystal structure of bis(1-phenylimidazolium) tetrachlorocuprate(II), 
(C~9~H~9~N~2~)~2~(CuCl~4~)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              343
_journal_page_last               344
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     '(C9 H9 N2)2 (CuCl4)'
_chemical_formula_sum            'C18 H18 Cl4 Cu N4'
_chemical_formula_weight         495.70
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.61(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.109(3)
_cell_length_b                   10.263(2)
_cell_length_c                   15.290(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2160.6(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.524
_refine_ls_R_factor_obs          0.0398
_refine_ls_wR_factor_obs         0.0984
_cod_original_sg_symbol_H-M      'C 2'
_cod_original_formula_sum        'C18 H18 Cl4 Cu1 N4'
_cod_database_code               8100386
Crystal structure of trans-diaqua-di(bis(pyrazolylmethane)-copper (II) dinitrate, Cu(C~7~H~10~N~4~)~2~(OH~2~)~2~(NO~3~)~2~
Van Langenberg, K. A.; Moubaraki, B.; Murray, K. S.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 345–346; doi:

data_8100387
_publ_section_title
;
Crystal structure of trans-diaqua-di(bis(pyrazolylmethane)-copper
(II) dinitrate, Cu(C~7~H~10~N~4~)~2~(OH~2~)~2~(NO~3~)~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              345
_journal_page_last               346
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C14 H20 Cu N10 O8 '
_chemical_formula_structural     'Cu(C7H10N4)2(OH2)2 &#x00B7; 2NO3 '
_chemical_formula_sum            'C14 H20 Cu N10 O8'
_chemical_formula_weight         519.92
_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                103.41(3)
_cell_angle_beta                 101.87(3)
_cell_angle_gamma                117.10(1)
_cell_formula_units_Z            1
_cell_length_a                   8.498(1)
_cell_length_b                   9.167(2)
_cell_length_c                   8.323(3)
_cell_measurement_temperature    293
_cell_volume                     523.9(4)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.648
_cod_original_formula_sum        'C14 H20 Cu N10 O8 '
_cod_database_code               8100387
Crystal structure of N-(2-(aminoethyl)pyridyl)(salicylaldiminato)copper (II) perchlorate dimer, [Cu(C~14~H~13~N~2~O)]~2~(ClO~4~)~2~
Burns, M.; Moubaraki, B.; Murray, K. S.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 347–348; doi:10.1524/ncrs.2003.218.3.347

data_8100388
_publ_section_title
;
 Crystal structure of N-(2-(aminoethyl)pyridyl)(salicylaldiminato)copper
 (II) perchlorate dimer, [Cu(C~14~H~13~N~2~O)]~2~(ClO~4~)~2~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              347
_journal_page_last               348
_journal_paper_doi               10.1524/ncrs.2003.218.3.347
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C14 H13 Cl Cu N2 O5 '
_chemical_formula_structural     '(Cu(C14H13N2O))2 &#x00B7; 2ClO4 '
_chemical_formula_sum            'C14 H13 Cl Cu N2 O5'
_chemical_formula_weight         388.27
_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_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.75(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.559(2)
_cell_length_b                   11.024(2)
_cell_length_c                   14.397(4)
_cell_measurement_temperature    293
_cell_volume                     1467.1(6)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.758
_cod_data_source_file            8100388.cif
_cod_data_source_block           8100388
_cod_depositor_comments          'Adding DOI.'
_cod_original_cell_volume        1467.2(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C14 H13 Cl1 Cu1 N2 O5 '
_cod_database_code               8100388
Crystal structure of μ~2~-oxo-bis-μ~2~-formato-bis-(tris (pyrazolyl)methane)diiron(III) perchlorate, C~22~H~22~Cl~2~Fe~2~N~12~O~13~
Moubaraki, B.; Murray, K. S.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 349–350; doi:

data_8100389
_publ_section_title
;
Crystal structure of \m~2~-oxo-bis-\m~2~-formato-bis-(tris
(pyrazolyl)methane)diiron(III) perchlorate, C~22~H~22~Cl~2~Fe~2~N~12~O~13~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              349
_journal_page_last               350
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C10 H11 Cl Fe N6 O6.50'
_chemical_formula_structural     'C20 H22 Cl2 Fe2 N12 O13 '
_chemical_formula_sum            'C10 H11 Cl Fe N6 O6.5'
_chemical_formula_weight         410.53
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.733(6)
_cell_length_b                   15.315(9)
_cell_length_c                   16.260(5)
_cell_measurement_temperature    293
_cell_volume                     3170.8(21)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.720
_cod_original_formula_sum        'C10 H11 Cl1 Fe1 N6 O6.50 '
_cod_database_code               8100389
Crystal structure of [bis-tris(pyrazolyl)methanecopper(II)] [chloro- bis(η^2^-benzoato)-η^1^-benzoato-manganate(II)] hydrate, Cu(C~10~H~10~N~6~)Mn(C~7~H~5~O~2~)~3~Cl · H~2~O
Moubaraki, B.; Murray, K. S.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 351–353; doi:

data_8100390
_publ_section_title
;
Crystal structure of [bis-tris(pyrazolyl)methanecopper(II)] [chloro-
bis(\h^2^-benzoato)-\h^1^-benzoato-manganate(II)] hydrate, 
Cu(C~10~H~10~N~6~)Mn(C~7~H~5~O~2~)~3~Cl &#x00B7; H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              351
_journal_page_last               353
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C41 H37 Cl Cu N12 Mn O7 '
_chemical_formula_structural     'Cu(C10H10N6) Mn(C7H5O2)3Cl &#x00B7; H2O'
_chemical_formula_sum            'C41 H37 Cl Cu Mn N12 O7'
_chemical_formula_weight         963.76
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.493(18)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.946(3)
_cell_length_b                   13.257(18)
_cell_length_c                   20.766(5)
_cell_measurement_temperature    293
_cell_volume                     4209.1(40)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.521
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C41 H37 Cl1 Cu1 N12 Mn1 O7 '
_cod_database_code               8100390
Crystal structure of [bis-tris(pyrazolyl)methanecobalt(II)] [chloro- bis(η^2^-benzoato)-η^1^-benzoato-manganate(II)] hydrate, Co(C~10~H~10~N~6~)Mn(C~7~H~5~O~2~)~3~Cl · H~2~O
Moubaraki, B.; Murray, K. S.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 354–356; doi:

data_8100391
_publ_section_title
;
Crystal structure of [bis-tris(pyrazolyl)methanecobalt(II)] [chloro-
bis(\h^2^-benzoato)-\h^1^-benzoato-manganate(II)] hydrate, 
Co(C~10~H~10~N~6~)Mn(C~7~H~5~O~2~)~3~Cl &#x00B7; H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              354
_journal_page_last               356
_journal_volume                  218
_journal_year                    2003
_chemical_formula_structural     'Co(C10H10N6) Mn(C7H5O2)3Cl &#x00B7; H2O'
_chemical_formula_sum            'C41 H37 Cl Co Mn N12 O7'
_chemical_formula_weight         959.14
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.54(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.024(5)
_cell_length_b                   13.23(1)
_cell_length_c                   20.833(4)
_cell_measurement_temperature    293
_cell_volume                     4234(3)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.505
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C41 H37 Cl1 Co1 N12 Mn1 O7 '
_cod_database_code               8100391
Crystal structure of di-μ~2~-benzoato-di-[tris(pyrazolyl)-methane- aquamanganese(II)] benzoate, C~24~H~22~N~6~MnO~5~
Moubaraki, B.; Murray, K. S.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 218 (2003) 357–358; doi:

data_8100392
_publ_section_title
;
Crystal structure of di-\m~2~-benzoato-di-[tris(pyrazolyl)-methane-
aquamanganese(II)] benzoate, C~24~H~22~N~6~MnO~5~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              357
_journal_page_last               358
_journal_volume                  218
_journal_year                    2003
_chemical_formula_moiety         'C24 H22 N6 Mn O5 '
_chemical_formula_structural     'C24 H22 N6 Mn O5 '
_chemical_formula_sum            'C24 H22 Mn N6 O5'
_chemical_formula_weight         529.41
_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                109.241(8)
_cell_angle_beta                 102.835(8)
_cell_angle_gamma                71.273(8)
_cell_formula_units_Z            2
_cell_length_a                   11.126(1)
_cell_length_b                   12.953(1)
_cell_length_c                   9.0895(9)
_cell_measurement_temperature    293
_cell_volume                     1161.3(2)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.514
_cod_original_formula_sum        'C24 H22 N6 Mn O5 '
_cod_database_code               8100392