LMucko/crystallography-open-database huggingface dataset:
Formation of N‒I Charge-Transfer Bonds and Ion Pairs in Polyiodides with Imidotellurium Cations
Konu, Jari; Chivers, Tristram; Schatte, Gabriele; Parvez, Masood; Laitinen, Risto S.; Inorganic Chemistry 44 (2005) 2973–2982; doi:10.1021/ic050058k

data_4300338
_publ_section_title
;
 Formation of N--I Charge-Transfer Bonds and Ion Pairs in Polyiodides with
 Imidotellurium Cations
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2973
_journal_page_last               2982
_journal_paper_doi               10.1021/ic050058k
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C12 H27 I4 N3 O Te2'
_chemical_formula_weight         992.17
_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                 105.33(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.113(2)
_cell_length_b                   18.516(4)
_cell_length_c                   15.918(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2590.3(9)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.544
_cod_duplicate_entry             4301063
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300338
Formation of N‒I Charge-Transfer Bonds and Ion Pairs in Polyiodides with Imidotellurium Cations
Konu, Jari; Chivers, Tristram; Schatte, Gabriele; Parvez, Masood; Laitinen, Risto S.; Inorganic Chemistry 44 (2005) 2973–2982; doi:10.1021/ic050058k

data_4300339
_publ_section_title
;
 Formation of N--I Charge-Transfer Bonds and Ion Pairs in Polyiodides with
 Imidotellurium Cations
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2973
_journal_page_last               2982
_journal_paper_doi               10.1021/ic050058k
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C17 H37 F3 N4 O3 S Te2'
_chemical_formula_weight         689.77
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.183(3)
_cell_length_b                   17.695(4)
_cell_length_c                   18.374(4)
_cell_measurement_temperature    173(2)
_cell_volume                     5261.5(18)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.742
_cod_duplicate_entry             4301064
_cod_database_code               4300339
Formation of N‒I Charge-Transfer Bonds and Ion Pairs in Polyiodides with Imidotellurium Cations
Konu, Jari; Chivers, Tristram; Schatte, Gabriele; Parvez, Masood; Laitinen, Risto S.; Inorganic Chemistry 44 (2005) 2973–2982; doi:10.1021/ic050058k

data_4300340
_publ_section_title
;
 Formation of N--I Charge-Transfer Bonds and Ion Pairs in Polyiodides with
 Imidotellurium Cations
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2973
_journal_page_last               2982
_journal_paper_doi               10.1021/ic050058k
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C18 H40.11 I9.89 N5 Te2'
_chemical_formula_weight         1836.27
_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                91.75(3)
_cell_angle_beta                 105.24(3)
_cell_angle_gamma                102.45(3)
_cell_formula_units_Z            2
_cell_length_a                   10.332(2)
_cell_length_b                   13.185(3)
_cell_length_c                   17.050(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2178.9(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.799
_cod_duplicate_entry             4301065
_cod_database_code               4300340
Formation of N‒I Charge-Transfer Bonds and Ion Pairs in Polyiodides with Imidotellurium Cations
Konu, Jari; Chivers, Tristram; Schatte, Gabriele; Parvez, Masood; Laitinen, Risto S.; Inorganic Chemistry 44 (2005) 2973–2982; doi:10.1021/ic050058k

data_4300341
_publ_section_title
;
 Formation of N--I Charge-Transfer Bonds and Ion Pairs in Polyiodides with
 Imidotellurium Cations
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2973
_journal_page_last               2982
_journal_paper_doi               10.1021/ic050058k
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C13 H30 I3 N3 O Te2'
_chemical_formula_weight         880.30
_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                104.44(3)
_cell_angle_beta                 101.61(3)
_cell_angle_gamma                93.68(3)
_cell_formula_units_Z            2
_cell_length_a                   9.943(2)
_cell_length_b                   9.957(2)
_cell_length_c                   12.931(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1205.5(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.425
_cod_duplicate_entry             4301066
_cod_database_code               4300341
Formation of N‒I Charge-Transfer Bonds and Ion Pairs in Polyiodides with Imidotellurium Cations
Konu, Jari; Chivers, Tristram; Schatte, Gabriele; Parvez, Masood; Laitinen, Risto S.; Inorganic Chemistry 44 (2005) 2973–2982; doi:10.1021/ic050058k

data_4300342
_publ_section_title
;
 Formation of N--I Charge-Transfer Bonds and Ion Pairs in Polyiodides with
 Imidotellurium Cations
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2973
_journal_page_last               2982
_journal_paper_doi               10.1021/ic050058k
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C15 H33 I3 N4 O Te2'
_chemical_formula_weight         921.35
_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                 93.90(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.179(2)
_cell_length_b                   15.6740(11)
_cell_length_c                   14.360(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2734.9(8)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.238
_cod_duplicate_entry             4301067
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4300342
; Inorganic Chemistry  (2006) –; doi:10.1021/ic050093r

data_4300343
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic050093r
_journal_year                    2006
_chemical_formula_sum            'C28 H42 Cl4 N4 Ni4 O9'
_chemical_formula_weight         955.30
_space_group_IT_number           122
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.1421(6)
_cell_length_b                   16.1421(6)
_cell_length_c                   29.4689(14)
_cell_measurement_temperature    173(2)
_cell_volume                     7678.6(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.653
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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_database_code               4300343
; Inorganic Chemistry  (2006) –; doi:10.1021/ic050093r

data_4300344
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic050093r
_journal_year                    2006
_chemical_formula_sum            'C32 H50 Cl4 N4 Ni4 O9'
_chemical_formula_weight         1011.40
_space_group_IT_number           122
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.6017(5)
_cell_length_b                   16.6017(5)
_cell_length_c                   29.3656(17)
_cell_measurement_temperature    150(2)
_cell_volume                     8093.6(6)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.660
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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_database_code               4300344
; Inorganic Chemistry  (2006) –; doi:10.1021/ic050093r

data_4300345
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic050093r
_journal_year                    2006
_chemical_formula_sum            'C48 H80 Cl4 N4 Ni4 O8'
_chemical_formula_weight         1217.80
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.8389(3)
_cell_length_b                   12.8389(3)
_cell_length_c                   35.047(2)
_cell_measurement_temperature    173(2)
_cell_volume                     5777.1(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.400
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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      'I 41/a'
_cod_database_code               4300345
; Inorganic Chemistry  (2006) –; doi:10.1021/ic050093r

data_4300346
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic050093r
_journal_year                    2006
_chemical_formula_sum            'C60 H96 Cl4 N4 Ni4 O8'
_chemical_formula_weight         1378.05
_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                 106.9140(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   25.2519(16)
_cell_length_b                   20.2768(13)
_cell_length_c                   40.811(3)
_cell_measurement_temperature    150(2)
_cell_volume                     19993(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.373
_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      'C 2/c'
_cod_database_code               4300346
; Inorganic Chemistry  (2006) –; doi:10.1021/ic050093r

data_4300347
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic050093r
_journal_year                    2006
_chemical_formula_sum            'C48 H80 Br4 N4 Ni4 O8'
_chemical_formula_weight         1395.64
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.8739(3)
_cell_length_b                   12.8739(3)
_cell_length_c                   36.3672(19)
_cell_measurement_temperature    213(2)
_cell_volume                     6027.4(4)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.538
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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      'I 41/a'
_cod_database_code               4300347
; Inorganic Chemistry  (2006) –; doi:10.1021/ic050093r

data_4300348
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic050093r
_journal_year                    2006
_chemical_formula_sum            'C64 H112 Cl4 N4 Ni4 O8'
_chemical_formula_weight         1442.22
_space_group_IT_number           122
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4080(4)
_cell_length_b                   13.4080(4)
_cell_length_c                   42.329(3)
_cell_measurement_temperature    213(2)
_cell_volume                     7609.7(6)
_diffrn_ambient_temperature      213(2)
_exptl_crystal_density_diffrn    1.259
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
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_database_code               4300348
Ligand-Free Deltahedral Clusters of Silicon in Solution: Synthesis, Structure, and Electrochemistry of Si~9~^2-^
Goicoechea, Jose M.; Sevov, Slavi C.; Inorganic Chemistry 44 (2005) 2654–2658; doi:10.1021/ic0500964

data_4300349
_publ_section_title
;
 Ligand-Free Deltahedral Clusters of Silicon in Solution:
 Synthesis, Structure, and Electrochemistry of Si~9~^2-^
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2654
_journal_page_last               2658
_journal_paper_doi               10.1021/ic0500964
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C29 H53 K2 N O12 Si9'
_chemical_formula_weight         938.73
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.3204(16)
_cell_length_b                   14.0127(12)
_cell_length_c                   18.1038(16)
_cell_measurement_temperature    100(2)
_cell_volume                     4647.6(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.342
_cod_duplicate_entry             4301068
_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 
;
_cod_database_code               4300349
; Inorganic Chemistry  (2006) –; doi:

data_4300350
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_sum            'C10 H16 N2 O2'
_chemical_formula_weight         196.25
_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                 99.68(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.3560(19)
_cell_length_b                   10.222(2)
_cell_length_c                   20.934(4)
_cell_measurement_temperature    296(2)
_cell_volume                     1973.6(7)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.321
_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      'C 2/c'
_cod_database_code               4300350
; Inorganic Chemistry  (2006) –; doi:

data_4300351
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_moiety
'(La (N O3)3 (C10 H16 N2 O2)2) (C2 H3 N) (H2 O)0.5'
_chemical_formula_sum            'C22 H36 La N8 O13.5'
_chemical_formula_weight         767.50
_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                92.44(3)
_cell_angle_beta                 105.58(3)
_cell_angle_gamma                96.81(3)
_cell_formula_units_Z            2
_cell_length_a                   10.001(2)
_cell_length_b                   11.211(2)
_cell_length_c                   15.158(3)
_cell_measurement_temperature    296(2)
_cell_volume                     1620.6(6)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.573
_cod_original_formula_sum        'C22 H36 La N8 O13.50'
_cod_database_code               4300351
; Inorganic Chemistry  (2006) –; doi:

data_4300352
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_sum            'C14 H28 La N7 O13'
_chemical_formula_weight         641.34
_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                 100.3500(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.7904(3)
_cell_length_b                   16.4723(4)
_cell_length_c                   14.5036(4)
_cell_measurement_temperature    173(2)
_cell_volume                     2535.96(12)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.680
_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/n'
_cod_database_code               4300352
; Inorganic Chemistry  (2006) –; doi:

data_4300353
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_sum            'C20 H32 N7 Nd O13'
_chemical_formula_weight         722.77
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.234(2)
_cell_length_b                   14.522(3)
_cell_length_c                   18.984(4)
_cell_measurement_temperature    296(2)
_cell_volume                     2821.4(10)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.702
_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 
;
_cod_database_code               4300353
; Inorganic Chemistry  (2006) –; doi:

data_4300354
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_sum            'C14 H28 N7 Nd O13'
_chemical_formula_weight         646.67
_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                 100.5420(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.71570(10)
_cell_length_b                   16.3446(2)
_cell_length_c                   14.4342(2)
_cell_measurement_temperature    173(2)
_cell_volume                     2485.39(5)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.728
_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/n'
_cod_database_code               4300354