LMucko/crystallography-open-database huggingface dataset:
Reaction of TeBr4 with SbBr3 in the Presence of [C6H5(CH3)3N]Br: Crystal Structures of [C6H5(CH3)3N]2[Te2Br10] and [C6H5(CH3)3N][SbTeOBr6]
Hauge, Sverre; Janickis, Vitalijus; Maroy, Kjartan; Acta Chemica Scandinavica 53 (1999) 992–996; doi:10.3891/acta.chem.scand.53-0992

data_1520550
_publ_section_title
;
 Reaction of TeBr4 with SbBr3 in the Presence of [C6H5(CH3)3N]Br: Crystal
 Structures of [C6H5(CH3)3N]2[Te2Br10] and [C6H5(CH3)3N][SbTeOBr6]
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              992
_journal_page_last               996
_journal_paper_doi               10.3891/acta.chem.scand.53-0992
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C9 H14 Br6 N O Sb Te'
_chemical_formula_weight         881.02
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.81(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.689(2)
_cell_length_b                   12.672(3)
_cell_length_c                   10.459(2)
_cell_volume                     1004.2(4)
_diffrn_ambient_temperature      263
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    14.73
_exptl_crystal_density_diffrn    2.91
_exptl_crystal_density_meas      2.88
_exptl_crystal_F_000             792
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_number_parameters     90
_refine_ls_number_reflns         1834
_refine_ls_R_factor_gt           0.0756
_refine_ls_wR_factor_gt          0.1410
_cod_data_source_file            Acta-Chem-Scand-1999-53-992-996-2.cif
_cod_data_source_block           2
_cod_original_cell_volume        1004.2(3)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               1520550
Crystal Structure of the Sodium Salt of the Uranyl-Oxyacetate-Fluoride Dimer, Na4(UO2)2(OCH2COO)2F4.6H2O.
Farkas, Ildiko; Csoregh, Ingeborg; Szabo, Zoltan; Acta Chemica Scandinavica 53 (1999) 1009–1012; doi:10.3891/acta.chem.scand.53-1009

data_1520551
_publ_section_title
;
 Crystal Structure of the Sodium Salt of the Uranyl-Oxyacetate-Fluoride
 Dimer, Na4(UO2)2(OCH2COO)2F4.6H2O.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1009
_journal_page_last               1012
_journal_paper_doi               10.3891/acta.chem.scand.53-1009
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C4 H16 F4 Na4 O16 U2'
_chemical_formula_weight         964.19
_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                95.68(2)
_cell_angle_beta                 105.21(2)
_cell_angle_gamma                112.57(2)
_cell_formula_units_Z            1
_cell_length_a                   7.281(1)
_cell_length_b                   7.606(1)
_cell_length_c                   10.436(2)
_cell_volume                     501.89(18)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    16.31
_exptl_crystal_density_diffrn    3.190
_exptl_crystal_F_000             432
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_number_parameters     139
_refine_ls_number_reflns         1817
_refine_ls_R_factor_gt           0.027
_refine_ls_wR_factor_gt          0.068
_cod_data_source_file            Acta-Chem-Scand-1999-53-1009-1012.cif
_cod_data_source_block           1
_cod_database_code               1520551
The Synthesis of Ternary Acetylides with Tellurium: LiTeC2 and Na2TeC2
Nemeth, Karoly; Unni, Aditya Krishnan; Kalnmals, Christopher; Segre, Carlo U.; Kaduk, James A.; Bloom, Ira; Maroni, Victor; RSC Adv.  (2015) –; doi:10.1039/C5RA08983B

data_7220793
_publ_section_title
;
 The Synthesis of Ternary Acetylides with Tellurium: LiTeC2 and Na2TeC2
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA08983B
_journal_year                    2015
_chemical_formula_sum            'C2 Na2 Te'
_chemical_formula_weight         197.60
_chemical_name_systematic        ' ?'
_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'
_audit_update_record
;
2015-05-13 deposited with the CCDC.
2015-06-17 downloaded from the CCDC.
;
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.8727(7)
_cell_length_b                   5.8727
_cell_length_c                   5.874(4)
_cell_volume                     202.59(14)
_pd_block_id
2015-05-07T08:12|NA2TEC2-I4MMM_phase1|James_A._Kaduk||
_pd_phase_name                   'Na2 Te C2?'
_cod_data_source_file            c5ra08983b8.cif
_cod_data_source_block           NA2TEC2-I4MMM_phase_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (30
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (61
time).

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 
;
_cod_original_cell_volume        202.60(14)
_cod_database_code               7220793
The Synthesis of Ternary Acetylides with Tellurium: LiTeC2 and Na2TeC2
Nemeth, Karoly; Unni, Aditya Krishnan; Kalnmals, Christopher; Segre, Carlo U.; Kaduk, James A.; Bloom, Ira; Maroni, Victor; RSC Adv.  (2015) –; doi:10.1039/C5RA08983B

data_7220794
_publ_section_title
;
 The Synthesis of Ternary Acetylides with Tellurium: LiTeC2 and Na2TeC2
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA08983B
_journal_year                    2015
_chemical_formula_sum            'C2 Na2'
_chemical_formula_weight         70.00
_chemical_name_systematic        ' ?'
_space_group_IT_number           142
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_audit_update_record
;
2015-05-13 deposited with the CCDC.
2015-06-17 downloaded from the CCDC.
;
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   6.551(11)
_cell_length_b                   6.551
_cell_length_c                   12.771(25)
_cell_volume                     548.1(14)
_pd_block_id
2015-05-07T08:12|NA2TEC2-I4MMM_phase2|James_A._Kaduk||
_pd_phase_name                   'Na2 C2'
_cod_data_source_file            c5ra08983b8.cif
_cod_data_source_block           NA2TEC2-I4MMM_phase_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (21
time).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (87
times).

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

2018-10-04
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C Na'
_cod_original_formula_weight         35.00
_cod_original_formula_units_Z            16
_cod_original_cell_volume        548.0(26)
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_database_code               7220794
Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of Phenylglyoxylic Acid Attached to Chiral Auxiliaries
Reufer, Christian; Zielinski, Claudia; Schafer, Hans Jurgen; Frolich, Roland; Acta Chemica Scandinavica 53 (1999) 1023–1037; doi:10.3891/acta.chem.scand.53-1023

data_1520567
_publ_section_title
;
 Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of
 Phenylglyoxylic Acid Attached to Chiral Auxiliaries
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1023
_journal_page_last               1037
_journal_paper_doi               10.3891/acta.chem.scand.53-1023
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C12 H21 N O4'
_chemical_formula_weight         243.30
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.602(2)
_cell_length_b                   9.205(2)
_cell_length_c                   21.832(6)
_cell_volume                     1326.8(6)
_diffrn_ambient_temperature      223
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.748
_exptl_crystal_density_diffrn    1.218
_refine_ls_number_parameters     160
_refine_ls_number_reflns         965
_refine_ls_R_factor_gt           0.053
_refine_ls_wR_factor_gt          0.115
_cod_data_source_file            Acta-Chem-Scand-1999-53-1023-1037-1.cif
_cod_data_source_block           R-16
_cod_depositor_comments
;
No atomic coordinates in the paper,
a dummy atom was added,
deposited at CCDC 114110
;
_cod_database_code               1520567
Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of Phenylglyoxylic Acid Attached to Chiral Auxiliaries
Reufer, Christian; Zielinski, Claudia; Schafer, Hans Jurgen; Frolich, Roland; Acta Chemica Scandinavica 53 (1999) 1023–1037; doi:10.3891/acta.chem.scand.53-1023

data_1520568
_publ_section_title
;
 Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of
 Phenylglyoxylic Acid Attached to Chiral Auxiliaries
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1023
_journal_page_last               1037
_journal_paper_doi               10.3891/acta.chem.scand.53-1023
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C12 H15 N O5'
_chemical_formula_weight         253.25
_space_group_IT_number           145
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      145
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   12.654(2)
_cell_length_b                   12.654(2)
_cell_length_c                   6.786(1)
_cell_volume                     941.0(3)
_diffrn_ambient_temperature      223
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.887
_exptl_crystal_density_diffrn    1.341
_refine_ls_number_parameters     166
_refine_ls_number_reflns         1020
_refine_ls_R_factor_gt           0.058
_refine_ls_wR_factor_gt          0.179
_cod_data_source_file            Acta-Chem-Scand-1999-53-1023-1037-2.cif
_cod_data_source_block           R-17
_cod_depositor_comments
;
No atomic coordinates in the paper,
a dummy atom was added,
deposited at CCDC 114111
;
_cod_database_code               1520568
Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of Phenylglyoxylic Acid Attached to Chiral Auxiliaries
Reufer, Christian; Zielinski, Claudia; Schafer, Hans Jurgen; Frolich, Roland; Acta Chemica Scandinavica 53 (1999) 1023–1037; doi:10.3891/acta.chem.scand.53-1023

data_1520569
_publ_section_title
;
 Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of
 Phenylglyoxylic Acid Attached to Chiral Auxiliaries
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1023
_journal_page_last               1037
_journal_paper_doi               10.3891/acta.chem.scand.53-1023
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C12 H15 N O4 S'
_chemical_formula_weight         269.31
_space_group_IT_number           145
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      145
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   12.701(3)
_cell_length_b                   12.701(3)
_cell_length_c                   6.811(2)
_cell_volume                     951.5(4)
_diffrn_ambient_temperature      223
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    2.348
_exptl_crystal_density_diffrn    1.410
_refine_ls_number_parameters     167
_refine_ls_number_reflns         1048
_refine_ls_R_factor_gt           0.030
_refine_ls_wR_factor_gt          0.080
_cod_data_source_file            Acta-Chem-Scand-1999-53-1023-1037-3.cif
_cod_data_source_block           S-18
_cod_depositor_comments
;
No atomic coordinates in the paper,
a dummy atom was added,
deposited at CCDC 114112
;
_cod_original_cell_volume        951.5(6)
_cod_database_code               1520569
Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of Phenylglyoxylic Acid Attached to Chiral Auxiliaries
Reufer, Christian; Zielinski, Claudia; Schafer, Hans Jurgen; Frolich, Roland; Acta Chemica Scandinavica 53 (1999) 1023–1037; doi:10.3891/acta.chem.scand.53-1023

data_1520570
_publ_section_title
;
 Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of
 Phenylglyoxylic Acid Attached to Chiral Auxiliaries
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1023
_journal_page_last               1037
_journal_paper_doi               10.3891/acta.chem.scand.53-1023
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C11 H19 N O4'
_chemical_formula_weight         229.27
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.41(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.269(1)
_cell_length_b                   10.484(1)
_cell_length_c                   8.094(1)
_cell_volume                     608.53(13)
_diffrn_ambient_temperature      198
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.095
_exptl_crystal_density_diffrn    1.251
_refine_ls_number_parameters     150
_refine_ls_number_reflns         2537
_refine_ls_R_factor_gt           0.035
_refine_ls_wR_factor_gt          0.091
_cod_data_source_file            Acta-Chem-Scand-1999-53-1023-1037-4.cif
_cod_data_source_block           S-15
_cod_depositor_comments
;
No atomic coordinates in the paper,
a dummy atom was added,
deposited at CCDC 114113
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               1520570
Platinum(II) Benzophenone Imine Complexes and the Crystal Structure of trans-(N,N)-(Benzophenone imine)chloro- [2-(1-imino-1-phenylmethyl)phenylido]platinum(II)‒Acetone (2/1)
Grondahl, Lisbeth; Josephsen, Jens; Bruun, Rikke Mattsson; Larsen, Sine; Acta Chemica Scandinavica 53 (1999) 1069–1077; doi:10.3891/acta.chem.scand.53-1069

data_1520571
_publ_section_title
;
 Platinum(II) Benzophenone Imine Complexes and the Crystal Structure of
 trans-(N,N)-(Benzophenone imine)chloro-
 [2-(1-imino-1-phenylmethyl)phenylido]platinum(II)--Acetone (2/1)
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1069
_journal_page_last               1077
_journal_paper_doi               10.3891/acta.chem.scand.53-1069
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C27.5 H24 Cl N2 O0.5 Pt'
_chemical_formula_weight         621.039
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.42(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.318(4)
_cell_length_b                   22.854(4)
_cell_length_c                   15.212(3)
_cell_volume                     4722.7(19)
_diffrn_ambient_temperature      122
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.6075
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_F_000             2416
_refine_ls_goodness_of_fit_ref   1.669
_refine_ls_number_parameters     10355
_refine_ls_number_reflns         291
_refine_ls_R_factor_gt           0.0372
_refine_ls_wR_factor_gt          0.0718
_cod_data_source_file            Acta-Chem-Scand-1999-53-1069-1077.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1520571
Dioxomolybdenum(VI) Complexes of Chelating Alkoxides
Lehtonen, Ari; Sillanpaa, Reijo; Acta Chemica Scandinavica 53 (1999) 1078–1082; doi:10.3891/acta.chem.scand.53-1078

data_1520603
_publ_section_title
;
 Dioxomolybdenum(VI) Complexes of Chelating Alkoxides
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1078
_journal_page_last               1082
_journal_paper_doi               10.3891/acta.chem.scand.53-1078
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C6 H14 Mo O6'
_chemical_formula_weight         278.11
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 102.698(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7150(8)
_cell_length_b                   11.0476(7)
_cell_length_c                   10.9625(7)
_cell_volume                     1029.65(13)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.271
_refine_ls_number_parameters     119
_refine_ls_number_reflns         1812
_refine_ls_R_factor_gt           0.020
_refine_ls_wR_factor_gt          0.050
_cod_data_source_file            Acta-Chem-Scand-1999-53-1078-1082-1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
No atomic coordinates in the paper,
a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C6 H14 O6 Mo'
_cod_database_code               1520603
Dioxomolybdenum(VI) Complexes of Chelating Alkoxides
Lehtonen, Ari; Sillanpaa, Reijo; Acta Chemica Scandinavica 53 (1999) 1078–1082; doi:10.3891/acta.chem.scand.53-1078

data_1520604
_publ_section_title
;
 Dioxomolybdenum(VI) Complexes of Chelating Alkoxides
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1078
_journal_page_last               1082
_journal_paper_doi               10.3891/acta.chem.scand.53-1078
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C12 H22 Mo O6'
_chemical_formula_weight         358.24
_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                   18.676(2)
_cell_length_b                   6.9445(13)
_cell_length_c                   11.4529(15)
_cell_volume                     1485.4(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.901
_refine_ls_number_parameters     172
_refine_ls_number_reflns         1368
_refine_ls_R_factor_gt           0.030
_refine_ls_wR_factor_gt          0.065
_cod_data_source_file            Acta-Chem-Scand-1999-53-1078-1082-2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
No atomic coordinates in the paper,
a dummy atom was added
;
_cod_original_formula_sum        'C12 H22 O6 Mo'
_cod_database_code               1520604
Dioxomolybdenum(VI) Complexes of Chelating Alkoxides
Lehtonen, Ari; Sillanpaa, Reijo; Acta Chemica Scandinavica 53 (1999) 1078–1082; doi:10.3891/acta.chem.scand.53-1078

data_1520605
_publ_section_title
;
 Dioxomolybdenum(VI) Complexes of Chelating Alkoxides
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1078
_journal_page_last               1082
_journal_paper_doi               10.3891/acta.chem.scand.53-1078
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C18 H32 Mo O6'
_chemical_formula_weight         440.38
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.958(7)
_cell_length_b                   16.139(4)
_cell_length_c                   10.672(5)
_cell_volume                     3954(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.692
_refine_ls_number_parameters     229
_refine_ls_number_reflns         3469
_refine_ls_R_factor_gt           0.042
_refine_ls_wR_factor_gt          0.075
_cod_data_source_file            Acta-Chem-Scand-1999-53-1078-1082-3.cif
_cod_data_source_block           3
_cod_depositor_comments
;
No atomic coordinates in the paper,
a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_cell_volume        3954(3)
_cod_original_formula_sum        'C18 H32 O6 Mo'
_cod_database_code               1520605