LMucko/crystallography-open-database huggingface dataset:
Crystal structure of tetramethylammonium anti-bis(μ-methanethiolato)- tetrakis(methanethiolato)diiron(II), [(CH~3~)~4~N]~2~[Fe~2~(SCH~3~) ~6~]
Chen, Changneng; Hauptmann, Ralf; Lackmann, Jörg; Henkel, Gerald; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 137–138; doi:

data_8101407
_publ_section_title
;
Crystal structure of tetramethylammonium anti-bis(\m-methanethiolato)-
tetrakis(methanethiolato)diiron(II), [(CH~3~)~4~N]~2~[Fe~2~(SCH~3~)
~6~]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              137
_journal_page_last               138
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         '[(CH~3~)~4~N]~2~[Fe~2~(SCH~3~)~6~]'
_chemical_formula_structural     '[(CH3)4N]2[Fe2(SCH3)6]'
_chemical_formula_sum            'C14 H42 Fe2 N2 S6'
_chemical_formula_weight         542.56
_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                90.00
_cell_angle_beta                 92.00(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.671(2)
_cell_length_b                   9.324(1)
_cell_length_c                   15.170(2)
_cell_measurement_temperature    150
_cell_volume                     1367.1(4)
_exptl_crystal_density_diffrn    1.318
_refine_ls_R_factor_obs          0.0253
_refine_ls_wR_factor_obs         0.0621
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101407
Crystal structure of 1,5-diamino-2-methylpentane zirconium bis(nitrilotriacetate) dihydrate, NH~3~(CH~2~)~3~CHCH~3~CH~2~NH~3~ Zr[N(CH~2~COO)~3~]~2~ · 2H~2~O
Haussuühl, Eiken; Schreuer, Juergen; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 71–73; doi:

data_8101408
_publ_section_title
;
Crystal structure of 1,5-diamino-2-methylpentane zirconium 
bis(nitrilotriacetate) dihydrate, NH~3~(CH~2~)~3~CHCH~3~CH~2~NH~3~ 
Zr[N(CH~2~COO)~3~]~2~ &#x00B7; 2H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              71
_journal_page_last               73
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural
;
(NH3 (CH2)3 CH CH3 CH2 NH3)2 (Zr(N(CH2COO)3)2) (H2O)4
;
_chemical_formula_sum            'C18 H34 N4 O14 Zr'
_chemical_formula_weight         621.71
_chemical_name_common
;
bis(1,5 diamino-2-methyl-pentane) bis(zirconium)
tetra(nitrilotriacetate) tetrahydrate
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.379(3)
_cell_length_b                   9.637(2)
_cell_length_c                   30.759(6)
_cell_measurement_temperature    293(2)
_cell_volume                     5151.6(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_meas      1.605(2)
_refine_ls_R_factor_obs          0.0291
_refine_ls_wR_factor_obs         0.0582
_cod_database_code               8101408
Crystal structure of N-benzyl-dibenzo[d,f]-1,2-thiazepin-3-one, C~20~H~15~NOS
Spirlet, Marie-Rose; Mohsine, Abdelaziz; Christians, Léon; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 139–140; doi:

data_8101409
_publ_section_title
;
Crystal structure of N-benzyl-dibenzo[d,f]-1,2-thiazepin-3-one, C~20~H~15~NOS
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              139
_journal_page_last               140
_journal_volume                  214
_journal_year                    1999
_chemical_formula_iupac          'C20 H15 N O S'
_chemical_formula_moiety         'C20 H15 N O S'
_chemical_formula_sum            'C20 H15 N O S'
_chemical_formula_weight         317.39
_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                64.83(3)
_cell_angle_beta                 89.54(3)
_cell_angle_gamma                80.85(3)
_cell_formula_units_Z            4
_cell_length_a                   8.632(2)
_cell_length_b                   13.730(3)
_cell_length_c                   14.765(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1560.1(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.351
_refine_ls_R_factor_obs          0.0514
_refine_ls_wR_factor_obs         0.0884
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (52 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               8101409
Crystal structure of 1,1-trimethylenebis[4-(hydroxyiminomethyl)pyridinium bromide] hydrate, (C~15~H~18~N~4~O~2~)Br~2~ · H~2~O
Bustamante, Carlos D.; Staples, Richard J.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 141–142; doi:

data_8101410
_publ_section_title
;
Crystal structure of 1,1-trimethylenebis[4-(hydroxyiminomethyl)pyridinium 
bromide] hydrate, (C~15~H~18~N~4~O~2~)Br~2~ &#x00B7; H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              141
_journal_page_last               142
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C15 H20 Br2 N4 O3'
_chemical_formula_weight         464.17
_chemical_melting_point          231
_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                 91.099(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.1812(2)
_cell_length_b                   13.8521(1)
_cell_length_c                   19.1610(4)
_cell_measurement_temperature    213(2)
_cell_volume                     1905.68(7)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.618
_refine_ls_R_factor_obs          0.0324
_refine_ls_wR_factor_obs         0.0568
_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               8101410
Crystal structure of dichloro[4,4,4-trifluoro-1-(2'-thienyl)butane-1,3- dionato]-bis(triphenylphosphine)rhenium(III), [Re(C~44~H~34~Cl~2~F~3~O~2~P~2~S)]
Sawusch, S.; Schilde, U.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 81–82; doi:

data_8101411
_publ_section_title
;
Crystal structure of dichloro[4,4,4-trifluoro-1-(2'-thienyl)butane-1,3-
dionato]-bis(triphenylphosphine)rhenium(III), 
[Re(C~44~H~34~Cl~2~F~3~O~2~P~2~S)]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              81
_journal_page_last               82
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C44 H34 Cl2 F3 O2 P2 Re S'
_chemical_formula_structural     '[Re (C44 H34 Cl2 F3 O2 P2 S)]'
_chemical_formula_sum            'C44 H34 Cl2 F3 O2 P2 Re S'
_chemical_formula_weight         1002.81
_chemical_melting_point          468
_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                90.00
_cell_angle_beta                 90.150(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.098(2)
_cell_length_b                   23.673(3)
_cell_length_c                   13.289(2)
_cell_measurement_temperature    298(2)
_cell_volume                     4120.5(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.617
_refine_ls_R_factor_obs          0.0347
_refine_ls_wR_factor_obs         0.0900
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101411
Crystal structure of L-cysteine L-tartarte monohydrate, C~7~H~15~NO~9~S
Shan, Yongkui; Huang, Songping D.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 41–42; doi:

data_8101412
_publ_section_title
;
Crystal structure of L-cysteine L-tartarte monohydrate, C~7~H~15~NO~9~S
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              41
_journal_page_last               42
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C7 H13 N O9 S'
_chemical_formula_weight         287.24
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 111
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.9152(8)
_cell_length_b                   7.7166(6)
_cell_length_c                   10.4111(9)
_cell_measurement_temperature    296(1)
_cell_volume                     591.68(8)
_diffrn_ambient_temperature      296(1)
_exptl_crystal_density_diffrn    1.612
_refine_ls_R_factor_obs          0.0353
_refine_ls_wR_factor_obs         0.0591
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C7 H13 N O9 S '
_cod_database_code               8101412
Crystal structure of hexaisopropyldisilane, C~18~H~42~Si~2~
Antomattei, Augie; Soderquist, John A.; Huang, Songping D.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 43–44; doi:

data_8101413
_publ_section_title
;
Crystal structure of hexaisopropyldisilane, C~18~H~42~Si~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              43
_journal_page_last               44
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C18 H42 Si2'
_chemical_formula_sum            'C18 H42 Si2'
_chemical_formula_weight         314.70
_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                 100.49(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.970(4)
_cell_length_b                   15.315(2)
_cell_length_c                   16.023(2)
_cell_measurement_temperature    298(1)
_cell_volume                     2164.4(9)
_diffrn_ambient_temperature      298(1)
_exptl_crystal_density_diffrn    0.966
_refine_ls_R_factor_obs          0.0439
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101413
Crystal structure of N,N'-dibenzyl-1,14,10,13-tetraoxa-7,16- diazacyclooctadecane cerium(III) thiocyanate, C~29~H~38~CeN~5~O~4~S~3~
Saleh, Muhammad Idiris; Salhin, Abdussalam; Talipov, Samat; Saad, Bahruddin; Fun, Hoong-Kun; Razak Ibrahim, Abdul; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 45–46; doi:

data_8101414
_publ_section_title
;
Crystal structure of N,N'-dibenzyl-1,14,10,13-tetraoxa-7,16-
diazacyclooctadecane cerium(III) thiocyanate, C~29~H~38~CeN~5~O~4~S~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              45
_journal_page_last               46
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C29 H38 Ce N5 O4 S3'
_chemical_formula_weight         756.94
_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                 94.170(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.597(2)
_cell_length_b                   9.6880(10)
_cell_length_c                   21.931(3)
_cell_measurement_temperature    293(2)
_cell_volume                     3305.1(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.521
_refine_ls_R_factor_obs          0.0333
_refine_ls_wR_factor_obs         0.0808
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (49 times).

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               8101414
Crystal structure of chlorotris(dimethyldithiocarbamato)tellurium(IV), [Te(S~2~CNMe~2~)~3~Cl]
Cox, M. J.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 49–50; doi:

data_8101415
_publ_section_title
;
Crystal structure of chlorotris(dimethyldithiocarbamato)tellurium(IV), 
[Te(S~2~CNMe~2~)~3~Cl]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              49
_journal_page_last               50
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C9 H18 Cl N3 S6 Te'
_chemical_formula_sum            'C9 H18 Cl N3 S6 Te'
_chemical_formula_weight         523.67
_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                   9.200(6)
_cell_length_b                   15.134(5)
_cell_length_c                   13.722(6)
_cell_measurement_temperature    200
_cell_volume                     1910(1)
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    1.820
_refine_ls_R_factor_obs          0.0353
_refine_ls_wR_factor_obs         0.0435
_cod_database_code               8101415
Crystal structure of dimagnesium (monohydrogenmonophosphate- dihydrogenmonoborate-monophosphate), Mg~2~[BP~2~O~7~(OH)~3~]
Hauf, Cornelia; Boy, Insan; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 3–4; doi:

data_8101416
_publ_section_title
;
Crystal structure of dimagnesium (monohydrogenmonophosphate-
dihydrogenmonoborate-monophosphate), Mg~2~[BP~2~O~7~(OH)~3~]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              3
_journal_page_last               4
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'B2 H6 Mg4 O20 P4'
_chemical_formula_weight         568.79
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                82.504(11)
_cell_angle_beta                 82.56(2)
_cell_angle_gamma                80.982(17)
_cell_formula_units_Z            1
_cell_length_a                   6.4522(10)
_cell_length_b                   6.4547(15)
_cell_length_c                   8.3603(17)
_cell_measurement_temperature    293(2)
_cell_volume                     338.82(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.788
_cod_original_formula_sum        'H6 B2 Mg4 O20 P4'
_cod_database_code               8101416
Crystal structure of [(phenanthroline)(1-phenyl-4,4,4-trifluoro-1, 3-butanedionato)(O-nitrato)copper(II)], CuF~3~O~2~N~2~C~22~H~14~[NO~3~]
Voutsas, G. P.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 31–32; doi:

data_8101417
_publ_section_title
;
Crystal structure of [(phenanthroline)(1-phenyl-4,4,4-trifluoro-1,
3-butanedionato)(O-nitrato)copper(II)], CuF~3~O~2~N~2~C~22~H~14~[NO~3~]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              31
_journal_page_last               32
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C22 H14 Cu F3 N3 O5'
_chemical_formula_weight         520.90
_chemical_name_systematic
;
[(phenanthroline)(1-phenyl)-4,4,4-trifluoro-1,3-butanedianto)(O-nitrato)-
copper(II)]
;
_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                90.00
_cell_angle_beta                 99.01
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.923
_cell_length_b                   15.437
_cell_length_c                   13.731
_cell_measurement_temperature    293(2)
_cell_volume                     2077.3
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.666
_refine_ls_R_factor_obs          0.0429
_refine_ls_wR_factor_obs         0.1279
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101417
Crystal structure of trans-bis[2-hydroxy-5-methyl-phenonethanone– oximato-N,O]nickel(II), C~18~H~20~N~2~NiO~4~
Voutsas, G. P.; Keramidas, K. G.; Dova, E.; Lalia-Kantouri, M.; Hartophylles, M.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 33–34; doi:

data_8101418
_publ_section_title
;
Crystal structure of trans-bis[2-hydroxy-5-methyl-phenonethanone--
oximato-N,O]nickel(II), C~18~H~20~N~2~NiO~4~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              33
_journal_page_last               34
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C18 H20 N2 Ni O4'
_chemical_formula_weight         387.07
_chemical_name_systematic
;
Trans-bis[2-hydroxy5-methylaceophenone-oximato]Ni(II)
;
_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                71.92(6)
_cell_angle_beta                 80.61(7)
_cell_angle_gamma                83.84(6)
_cell_formula_units_Z            1
_cell_length_a                   6.296(5)
_cell_length_b                   8.204(7)
_cell_length_c                   8.653(8)
_cell_measurement_temperature    293(2)
_cell_volume                     418.4(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.536
_refine_ls_R_factor_obs          0.0448
_refine_ls_wR_factor_obs         0.1145
_cod_database_code               8101418
Crystal structure of chloro-di-η^5^-cyclopentadienyl-[1,1-dimesityl- 3,3-dimethyl-1-buten-2-oxy]titan(IV), C~34~H~41~ClOTi
Werner, Helmut; Schmittel, Michael; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 47–48; doi:

data_8101419
_publ_section_title
;
Crystal structure of chloro-di-\h^5^-cyclopentadienyl-[1,1-dimesityl-
3,3-dimethyl-1-buten-2-oxy]titan(IV), C~34~H~41~ClOTi
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              47
_journal_page_last               48
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C34 H41 Cl O Ti'
_chemical_formula_weight         549.02
_chemical_melting_point          458.15
_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                90.00
_cell_angle_beta                 103.90(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.771(9)
_cell_length_b                   18.684(6)
_cell_length_c                   13.97(1)
_cell_measurement_temperature    293(2)
_cell_volume                     2981.7(32)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.223
_refine_ls_R_factor_obs          0.0457
_refine_ls_wR_factor_obs         0.1067
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '185_C' was changed to '458.15' - it
was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101419
Crystal structure of bis(1,4-dimethyl-1,4,7-triazacyclononyl)-μ- chloro-μ-hydroxodicopper(II) perchlorate, C~16~H~39~ClCu~2~N~6~O (ClO~4~)~2~
Elliot, David J.; Martin, Lisandra L.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 38–40; doi:

data_8101420
_publ_section_title
;
Crystal structure of bis(1,4-dimethyl-1,4,7-triazacyclononyl)-\m-
chloro-\m-hydroxodicopper(II) perchlorate, C~16~H~39~ClCu~2~N~6~O
(ClO~4~)~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              38
_journal_page_last               40
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C16 H39 Cl Cu2 N6 O, 2(Cl O4)'
_chemical_formula_structural     'C16 H39 Cl Cu2 N6 O  (Cl O4)2'
_chemical_formula_sum            'C16 H39 Cl3 Cu2 N6 O9'
_chemical_formula_weight         692.97
_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                90.00000
_cell_angle_beta                 101.92(1)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   10.403(1)
_cell_length_b                   13.550(2)
_cell_length_c                   20.343(2)
_cell_measurement_temperature    293
_cell_volume                     2805.7(6)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.64
_refine_ls_R_factor_obs          .068
_refine_ls_wR_factor_obs         .084
_cod_original_sg_symbol_Hall     -p_2yn
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8101420