LMucko/crystallography-open-database huggingface dataset:
Crystal structure of rubidium aluminum catena-[monohydrogen-monoborate- bis(monophosphate)], RbAl[BP~2~O~8~(OH)]
Mi, Jin-Xiao; Zhao, Jing-Tai; Huang, Ya-Xi; Deng, Jin-Feng; Borrmann, Horst; Kniep, Rüdiger; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 171–172; doi:10.1524/ncrs.2002.217.2.171

data_8100659
_publ_section_title
;
 Crystal structure of rubidium aluminum catena-[monohydrogen-monoborate-
 bis(monophosphate)], RbAl[BP~2~O~8~(OH)]
;
_journal_coden_ASTM              ZKNSFT
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              171
_journal_page_last               172
_journal_paper_doi               10.1524/ncrs.2002.217.2.171
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'RbAl[BP2 O8 (OH)]'
_chemical_formula_structural     'RbAl[BP2 O8 (OH)]'
_chemical_formula_sum            'Al B H O9 P2 Rb'
_chemical_formula_weight         330.21
_chemical_name_common            'RbAl[BP2 O8 (OH)]'
_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                 103.388(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2442(14)
_cell_length_b                   8.4033(11)
_cell_length_c                   9.3941(16)
_cell_measurement_temperature    295(2)
_cell_volume                     709.92(19)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    3.089
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'H1 Al B1 O9 P2 Rb1'
_cod_database_code               8100659
Crystal structure of aluminum catena-[monohydrogenborate-dihydrogenborate- bis(monohydrogenphosphate)] monohydrate, Al[B~2~P~2~O~7~(OH)~5~]·H~2~O
Kniep, Rüdiger; Koch, Dunja; Borrmann, Horst; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 187–188; doi:

data_8100660
_publ_section_title
;
Crystal structure of aluminum catena-[monohydrogenborate-dihydrogenborate-
bis(monohydrogenphosphate)] monohydrate, Al[B~2~P~2~O~7~(OH)~5~]&#x00B7;H~2~O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              187
_journal_page_last               188
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'Al [B2 P2 O7 (OH5]^.^H2O'
_chemical_formula_structural     'Al [B2 P2 O7 (OH5] . H2O'
_chemical_formula_sum            'Al B2 H7 O13 P2'
_chemical_formula_weight         162.80
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.03(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.994(4)
_cell_length_b                   6.7040(13)
_cell_length_c                   6.9100(14)
_cell_measurement_temperature    293(2)
_cell_volume                     869.0(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.489
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'H7 Al1 B2 O13 P2'
_cod_database_code               8100660
Refinement of the crystal structure of the clathrate Ba~8~Ga~17.2~Sn~28.8~
Carrillo-Cabrera, Wilder; Cardoso Gil, Raul; Tran, Vinh-Hung; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 181–182; doi:

data_8100661
_publ_section_title
;
Refinement of the crystal structure of the clathrate Ba~8~Ga~17.2~Sn~28.8~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              181
_journal_page_last               182
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Ba8 Ga17.20 Sn28.80'
_chemical_formula_sum            'Ba8 Ga17.2 Sn28.8'
_chemical_formula_weight         5716.18
_space_group_IT_number           217
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   11.5949(2)
_cell_length_b                   11.5949(2)
_cell_length_c                   11.5949(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1558.84(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.089
_cod_original_formula_sum        'Ba8 Ga17.20 Sn28.80'
_cod_database_code               8100661
Refinement of the crystal structure of arsenolite, As~2~O~3~
Ballirano, Paolo; Maras, Adriana; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 177–178; doi:

data_8100662
_publ_section_title
;
Refinement of the crystal structure of arsenolite, As~2~O~3~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              177
_journal_page_last               178
_journal_volume                  217
_journal_year                    2002
_chemical_compound_source
'starting material (realgar) from Monte Sughereto, Latium, Italy'
_chemical_formula_moiety         'As2 O3'
_chemical_formula_structural     'As2 O3'
_chemical_formula_sum            'As2 O3'
_chemical_formula_weight         197.84
_chemical_name_common            'arsenic trioxide'
_chemical_name_mineral           Arsenolite
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   11.07343(5)
_cell_length_b                   11.07343
_cell_length_c                   11.07343
_cell_measurement_temperature    295
_cell_volume                     1357.83(2)
_database_code_amcsd             0011094
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.871
_pd_proc_ls_prof_R_factor        0.0560
_pd_proc_ls_prof_wR_expected     0.0651
_pd_proc_ls_prof_wR_factor       0.0726
_refine_ls_R_Fsqd_factor         0.0676
_cod_depositor_comments
;Added _atom_site_type_symbol label and values. Antanas Vaitkus
 2013-04-12
-------------------------------------------------------------------------------
The
 following automatic conversions were performed:
'_symmetry_cell_setting'
 value 'Cubic' changed to 'cubic' 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 (3 times).

Automatic
 conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius
;
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               8100662
Redetermination of the crystal structure of potassium trans-(dioxo) tetra(hydroxo)osmate(VI), K~2~[Os(OH)~4~(O)~2~]
Murmann, R. Kent; Barnes, Charles L.; Schlemper, E. O.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 303–304; doi:

data_8100663
_publ_section_title
;
Redetermination of the crystal structure of potassium trans-(dioxo)
tetra(hydroxo)osmate(VI), K~2~[Os(OH)~4~(O)~2~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              303
_journal_page_last               304
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'H4 K2 O6 Os1'
_chemical_formula_structural     'K2 [Os(OH)4 (O)2]'
_chemical_formula_sum            'H4 K2 O6 Os'
_chemical_formula_weight         368.43
_chemical_name_common            'Potassium Osmate(VI)'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.5856(4)
_cell_length_b                   5.5856(4)
_cell_length_c                   9.4170(10)
_cell_measurement_temperature    173(2)
_cell_volume                     293.80(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    4.165
_cod_original_formula_sum        'H4 K2 O6 Os1'
_cod_database_code               8100663
Crystal structure of cerium silver phosphide (1:1.08:1.90), CeAg~1.08~P~1.90~
Demchyna, R.; Borrmann, Horst; Chykhrij, S. I.; Kuzma, Yu. B.; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 161–162; doi:

data_8100664
_publ_section_title
;
Crystal structure of cerium silver phosphide (1:1.08:1.90), CeAg~1.08~P~1.90~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              161
_journal_page_last               162
_journal_volume                  217
_journal_year                    2002
_chemical_formula_sum            'Ag2.16 Ce2 P3.8'
_chemical_formula_weight         1256.85
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.0037(2)
_cell_length_b                   4.0037(2)
_cell_length_c                   20.435(1)
_cell_measurement_temperature    293
_cell_volume                     327.57(5)
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    6.3709(9)
_refine_ls_R_factor_obs          0.049
_refine_ls_wR_factor_obs         0.049
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '.' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-10
;
_cod_original_formula_sum        'Ce2 Ag2.16 P3.80'
_cod_database_code               8100664
Crystal structure of Ba~8~Ga~4.44~Ge~39.14~□~2.42~, Ba~8~Ga~8.62~Ge~36~□~1.38~, and Ba~8~Ga~12.35~Ge~33.27~□~0.38~, three clathrate-I variants
Carrillo-Cabrera, Wilder; Cardoso Gil, Raul; Paschen, S.; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 183–185; doi:

data_8100665
_publ_section_title
;
Crystal structure of Ba~8~Ga~4.44~Ge~39.14~\\square ~2.42~, Ba~8~Ga~8.62~Ge~36~\\square ~1.38~, 
and Ba~8~Ga~12.35~Ge~33.27~\\square ~0.38~, three clathrate-I variants
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              183
_journal_page_last               185
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Ba8 Ga4.44 Ge39.14, Ba8 Ga8.62 Ge36 []1.38'
_chemical_formula_sum            'Ba8 Ga4.44 Ge39.14'
_chemical_formula_weight         4249.45
_space_group_IT_number           223
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   10.6861(2)
_cell_length_b                   10.6861(2)
_cell_length_c                   10.6861(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1220.28(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.783
_cod_database_code               8100665
Crystal structure of Ba~8~Ga~4.44~Ge~39.14~□~2.42~, Ba~8~Ga~8.62~Ge~36~□~1.38~, and Ba~8~Ga~12.35~Ge~33.27~□~0.38~, three clathrate-I variants
Carrillo-Cabrera, Wilder; Cardoso Gil, Raul; Paschen, S.; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 183–185; doi:

data_8100666
_publ_section_title
;
Crystal structure of Ba~8~Ga~4.44~Ge~39.14~\\square ~2.42~, Ba~8~Ga~8.62~Ge~36~\\square ~1.38~, 
and Ba~8~Ga~12.35~Ge~33.27~\\square ~0.38~, three clathrate-I variants
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              183
_journal_page_last               185
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Ba8 Ga8.62 Ge36'
_chemical_formula_sum            'Ba8 Ga8.62 Ge36'
_chemical_formula_weight         4312.95
_space_group_IT_number           223
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   10.7274(2)
_cell_length_b                   10.7274(2)
_cell_length_c                   10.7274(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1234.48(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.801
_cod_database_code               8100666
Crystal structure of Ba~8~Ga~4.44~Ge~39.14~□~2.42~, Ba~8~Ga~8.62~Ge~36~□~1.38~, and Ba~8~Ga~12.35~Ge~33.27~□~0.38~, three clathrate-I variants
Carrillo-Cabrera, Wilder; Cardoso Gil, Raul; Paschen, S.; Grin, Yuri; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 183–185; doi:

data_8100667
_publ_section_title
;
Crystal structure of Ba~8~Ga~4.44~Ge~39.14~\\square ~2.42~, Ba~8~Ga~8.62~Ge~36~\\square ~1.38~, 
and Ba~8~Ga~12.35~Ge~33.27~\\square ~0.38~, three clathrate-I variants
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              183
_journal_page_last               185
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'Ba8 Ga12.35 Ge33.27'
_chemical_formula_sum            'Ba8 Ga12.35 Ge33.27'
_chemical_formula_weight         4374.83
_space_group_IT_number           223
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   10.7659(2)
_cell_length_b                   10.7659(2)
_cell_length_c                   10.7659(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1247.82(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.822
_cod_database_code               8100667
Crystal structure of potassium aluminum catena-(monohydrogenmonoborate)- bis(monophosphate), KAl[BP~2~O~8~(OH)]
Kniep, Rüdiger; Koch, Dunja; Hartmann, Thomas; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 186–186; doi:10.1524/ncrs.2002.217.2.186

data_8100668
_publ_section_title
;
Crystal structure of potassium aluminum catena-(monohydrogenmonoborate)-
bis(monophosphate), KAl[BP~2~O~8~(OH)]
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              186
_journal_page_last               186
_journal_paper_doi               10.1524/ncrs.2002.217.2.186
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         KAl[BP~2~O~8~(OH)]
_chemical_formula_structural     'KAl[BP2 O8 (OH)]'
_chemical_formula_sum            'Al B H K O9 P2'
_chemical_formula_weight         1135.36
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.89(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.255(4)
_cell_length_b                   8.190(1)
_cell_length_c                   9.323(1)
_cell_measurement_temperature    293
_cell_volume                     689.54(6)
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    2.734(1)
_pd_calc_method                  'Rietveld Refinement'
_pd_phase_name                   KAlBP2O8OH
_pd_proc_ls_prof_R_factor        0.113
_refine_ls_R_I_factor            0.0593
_cod_depositor_comments
;

Replacing the last symmetry operator:

Index: /home/saulius/struct/cod/cif/8/10/06/8100668.cif
===================================================================
--- /home/saulius/struct/cod/cif/8/10/06/8100668.cif	(revision 207343)
+++ /home/saulius/struct/cod/cif/8/10/06/8100668.cif	(working copy)
@@ -59,7 +59,7 @@
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
-'x, -y+1/2, -z+1/2'
+'x, -y+1/2, z+1/2'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Al1 B1 K1 H1 O9 P2'
_cod_database_code               8100668
Refinement of the crystal structure of (1-ethyl-2,3,4,5- tetramethylcyclopentadienyl)[2,4-bis(trifluoromethyl)pentadienyl] ruthenium(II), C~18~H~22~F~6~Ru, at 150 K
Ernst, Richard D.; Trakarnpruk, Wimonrat; Arif, Atta M.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 327–328; doi:

data_8100669
_publ_section_title
;
Refinement of the crystal structure of (1-ethyl-2,3,4,5-
tetramethylcyclopentadienyl)[2,4-bis(trifluoromethyl)pentadienyl]
ruthenium(II), C~18~H~22~F~6~Ru, at 150 K
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              327
_journal_page_last               328
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C18 H22 F6 Ru1'
_chemical_formula_sum            'C18 H22 F6 Ru'
_chemical_formula_weight         453.43
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.1084(6)
_cell_length_b                   8.6434(4)
_cell_length_c                   13.4790(4)
_cell_measurement_temperature    150.00(10)
_cell_volume                     1760.19(12)
_diffrn_ambient_temperature      150.00(10)
_exptl_crystal_density_diffrn    1.711
_refine_diff_density_rms         0.073
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 

The following automatic conversions were performed:

'_cell_measurement_temperature' value '150(0.1)' was changed to
'150.00(10)' - precision was
estimated.

'_diffrn_ambient_temperature' value '150(0.1)' was
changed to '150.00(10)' - precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C18 H22 F6 Ru1'
_cod_database_code               8100669
Crystal structure of (carbonyl)(2,4-dimethylpentadienyl)[(1,2,3-η)- 2,4-dimethyl-4-trimethylphosphonio-2-pentenyl]ruthenium(II), [(CH~3~) ~3~P(RuC~15~H~23~O)][BF~4~]
Ernst, Richard D.; Newbound, Timothy D.; Arif, Atta M.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 329–330; doi:

data_8100670
_publ_section_title
;
Crystal structure of (carbonyl)(2,4-dimethylpentadienyl)[(1,2,3-\h)-
2,4-dimethyl-4-trimethylphosphonio-2-pentenyl]ruthenium(II), [(CH~3~)
~3~P(RuC~15~H~23~O)][BF~4~]
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              329
_journal_page_last               330
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     ' [(CH3)3 P(RuC15 H23 O)][BF4] '
_chemical_formula_sum            'C18 H32 B F4 O P Ru'
_chemical_formula_weight         483.29
_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                82.465(2)
_cell_angle_beta                 85.7030(16)
_cell_angle_gamma                66.4318(19)
_cell_formula_units_Z            2
_cell_length_a                   7.7050(3)
_cell_length_b                   8.2990(2)
_cell_length_c                   19.1647(8)
_cell_measurement_temperature    200.00(10)
_cell_volume                     1113.20(7)
_diffrn_ambient_temperature      200.00(10)
_exptl_crystal_density_diffrn    1.442
_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.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_cell_measurement_temperature' value '200(0.1)' was changed to
'200.00(10)' - precision was
estimated.

'_diffrn_ambient_temperature' value '200(0.1)' was
changed to '200.00(10)' - precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C18 H32 B1 F4 O1 P1 Ru1'
_cod_database_code               8100670
Crystal structure of bis(2,2'-bipyridine-N,N')nitratocobalt(II) nitrate pentahydrate, [Co(2,2'-bpy)~2~(NO~3~)]NO~3~ · 5H~2~O
Zheng, Yue-Qing; Lin, Jian-Li; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 331–332; doi:

data_8100671
_publ_section_title
;
Crystal structure of bis(2,2'-bipyridine-N,N')nitratocobalt(II) nitrate 
pentahydrate, [Co(2,2'-bpy)~2~(NO~3~)]NO~3~ &#x00B7; 5H~2~O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              331
_journal_page_last               332
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     '[Co(2,2'-bpy)2 (NO3)]NO3 . 5H2O'
_chemical_formula_sum            'C20 H26 Co N6 O11'
_chemical_formula_weight         585.40
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.890(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.935(2)
_cell_length_b                   16.033(3)
_cell_length_c                   14.452(3)
_cell_measurement_temperature    293(2)
_cell_volume                     2479.4(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.568
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100671