LMucko/crystallography-open-database huggingface dataset:
Reactivity of [Cp~2~Ti(CO)~2~] and B(C~6~F~5~)^3^: Formation of the Acylborane Complexes [Cp2Ti(CO)(η^2^-OCB(C~6~F~5~)~3~)] and [Cp~2~Ti(THF)(η^2^-OCB(C~6~F~5~)~3~)]
Choukroun, Robert; Lorber, Christian; Lepetit, Christine; Donnadieu, Bruno; Organometallics 22 (2003) 1995–1997; doi:10.1021/om030185t

data_4062096
_publ_section_title
;
 Reactivity of [Cp~2~Ti(CO)~2~] and B(C~6~F~5~)^3^: Formation of the Acylborane
 Complexes [Cp2Ti(CO)(\h^2^-OCB(C~6~F~5~)~3~)] and
 [Cp~2~Ti(THF)(\h^2^-OCB(C~6~F~5~)~3~)]
;
_journal_coden_ASTM              ORGND7
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              1995
_journal_page_last               1997
_journal_paper_doi               10.1021/om030185t
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C30 H10 B F15 O2 Ti'
_chemical_formula_weight         746.09
_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                 102.085(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.0009(10)
_cell_length_b                   10.3704(9)
_cell_length_c                   15.9342(10)
_cell_measurement_temperature    180(2)
_cell_volume                     2747.0(5)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.804
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2019-09-11
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062096
Reactivity of [Cp~2~Ti(CO)~2~] and B(C~6~F~5~)^3^: Formation of the Acylborane Complexes [Cp2Ti(CO)(η^2^-OCB(C~6~F~5~)~3~)] and [Cp~2~Ti(THF)(η^2^-OCB(C~6~F~5~)~3~)]
Choukroun, Robert; Lorber, Christian; Lepetit, Christine; Donnadieu, Bruno; Organometallics 22 (2003) 1995–1997; doi:10.1021/om030185t

data_4062097
_publ_section_title
;
 Reactivity of [Cp~2~Ti(CO)~2~] and B(C~6~F~5~)^3^: Formation of the Acylborane
 Complexes [Cp2Ti(CO)(\h^2^-OCB(C~6~F~5~)~3~)] and
 [Cp~2~Ti(THF)(\h^2^-OCB(C~6~F~5~)~3~)]
;
_journal_coden_ASTM              ORGND7
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              1995
_journal_page_last               1997
_journal_paper_doi               10.1021/om030185t
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C33 H18 B F15 O2 Ti'
_chemical_formula_weight         790.18
_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                 93.386(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1752(6)
_cell_length_b                   21.0776(10)
_cell_length_c                   15.6338(8)
_cell_measurement_temperature    293(2)
_cell_volume                     3018.2(10)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.739
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2019-09-11
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062097
Studies of the 24-Electronnido-5-Vertex Clusters [M(η^4^-P~2~C~2~Bu^t^~2~)] (M = Ge, Pb, Sn): Synthesis and Characterization of [M(η^4^-P~2~C~2~Bu^t^~2~)] (M = Ge, Pb), [Sn(η^4^-P~2~C~2~Bu^t^~2~){W(CO)~5~}~n~] (n= 1, 2), and [I~2~GeP~2~C~2~Bu^t^~2~] and the Mössbauer Spectrum of [Sn(η^4^-P~2~C~2~Bu^t^~2~)]}
Francis, Matthew D.; Hitchcock, Peter B.; Organometallics 22 (2003) 2891–2896; doi:10.1021/om030186l

data_4062098
_publ_section_title
;
 Studies of the 24-Electronnido-5-Vertex Clusters [M(\h^4^-P~2~C~2~Bu^t^~2~)]
 (M = Ge, Pb, Sn): Synthesis and Characterization of [M(\h^4^-P~2~C~2~Bu^t^~2~)]
 (M = Ge, Pb), [Sn(\h^4^-P~2~C~2~Bu^t^~2~){W(CO)~5~}~n~] (n= 1, 2), and
 [I~2~GeP~2~C~2~Bu^t^~2~] and the M\"ossbauer Spectrum of
 [Sn(\h^4^-P~2~C~2~Bu^t^~2~)]}
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              2891
_journal_page_last               2896
_journal_paper_doi               10.1021/om030186l
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C10 H18 Ge1 P2'
_chemical_formula_sum            'C10 H18 Ge P2'
_chemical_formula_weight         272.77
_chemical_name_common            '[Ge(P2C2tBu2)]'
_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
_cell_angle_beta                 113.481(5)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   31.926(3)
_cell_length_b                   6.0639(5)
_cell_length_c                   21.460(2)
_cell_measurement_temperature    173(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     3810.6(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.426
_refine_diff_density_rms         0.121
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2019-09-11
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062098
Studies of the 24-Electronnido-5-Vertex Clusters [M(η^4^-P~2~C~2~Bu^t^~2~)] (M = Ge, Pb, Sn): Synthesis and Characterization of [M(η^4^-P~2~C~2~Bu^t^~2~)] (M = Ge, Pb), [Sn(η^4^-P~2~C~2~Bu^t^~2~){W(CO)~5~}~n~] (n= 1, 2), and [I~2~GeP~2~C~2~Bu^t^~2~] and the Mössbauer Spectrum of [Sn(η^4^-P~2~C~2~Bu^t^~2~)]}
Francis, Matthew D.; Hitchcock, Peter B.; Organometallics 22 (2003) 2891–2896; doi:10.1021/om030186l

data_4062099
_publ_section_title
;
 Studies of the 24-Electronnido-5-Vertex Clusters [M(\h^4^-P~2~C~2~Bu^t^~2~)]
 (M = Ge, Pb, Sn): Synthesis and Characterization of [M(\h^4^-P~2~C~2~Bu^t^~2~)]
 (M = Ge, Pb), [Sn(\h^4^-P~2~C~2~Bu^t^~2~){W(CO)~5~}~n~] (n= 1, 2), and
 [I~2~GeP~2~C~2~Bu^t^~2~] and the M\"ossbauer Spectrum of
 [Sn(\h^4^-P~2~C~2~Bu^t^~2~)]}
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              2891
_journal_page_last               2896
_journal_paper_doi               10.1021/om030186l
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C10 H18 P2 Pb1'
_chemical_formula_structural     'C10 H18 P2 PB'
_chemical_formula_sum            'C10 H18 P2 Pb'
_chemical_formula_weight         407.37
_chemical_name_common            '[Pb(P2C2tBu2)]'
_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
_cell_angle_beta                 96.014(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.8240(19)
_cell_length_b                   6.0564(6)
_cell_length_c                   10.6501(7)
_cell_measurement_temperature    173(2)
_cell_volume                     1271.64(19)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.128
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2019-09-11
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062099
Studies of the 24-Electronnido-5-Vertex Clusters [M(η^4^-P~2~C~2~Bu^t^~2~)] (M = Ge, Pb, Sn): Synthesis and Characterization of [M(η^4^-P~2~C~2~Bu^t^~2~)] (M = Ge, Pb), [Sn(η^4^-P~2~C~2~Bu^t^~2~){W(CO)~5~}~n~] (n= 1, 2), and [I~2~GeP~2~C~2~Bu^t^~2~] and the Mössbauer Spectrum of [Sn(η^4^-P~2~C~2~Bu^t^~2~)]}
Francis, Matthew D.; Hitchcock, Peter B.; Organometallics 22 (2003) 2891–2896; doi:10.1021/om030186l

data_4062100
_publ_section_title
;
 Studies of the 24-Electronnido-5-Vertex Clusters [M(\h^4^-P~2~C~2~Bu^t^~2~)]
 (M = Ge, Pb, Sn): Synthesis and Characterization of [M(\h^4^-P~2~C~2~Bu^t^~2~)]
 (M = Ge, Pb), [Sn(\h^4^-P~2~C~2~Bu^t^~2~){W(CO)~5~}~n~] (n= 1, 2), and
 [I~2~GeP~2~C~2~Bu^t^~2~] and the M\"ossbauer Spectrum of
 [Sn(\h^4^-P~2~C~2~Bu^t^~2~)]}
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              2891
_journal_page_last               2896
_journal_paper_doi               10.1021/om030186l
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C10 H18 Ge1 I2 P2'
_chemical_formula_sum            'C10 H18 Ge I2 P2'
_chemical_formula_weight         526.57
_chemical_name_common            '[GeI2(P2C2tBu2)]'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.9190
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9736(2)
_cell_length_b                   19.2898(5)
_cell_length_c                   9.9627(2)
_cell_measurement_temperature    173(2)
_cell_volume                     1687.35(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.073
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2019-09-11
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062100
Disproportionation of Rh^II^(cod) to Rh^I^(cod) and Rh^III^(cycloocta-2,5-dien-1-yl); Hydrogen atom transfer vs electron and proton transfer.
Hetterscheid, Dennis G.H.; de Bruin, Bas; Smits, Jan M. M.; Gal, Anton W.; Organometallics  (2003) –; doi:

data_4062101
_publ_section_title
;
Disproportionation of Rh^II^(cod) to Rh^I^(cod) and
Rh^III^(cycloocta-2,5-dien-1-yl); Hydrogen atom transfer vs electron
and proton transfer.
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C24 H32 F12 N3 O2 P2 Rh'
_chemical_formula_weight         787.38
_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                 100.562(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9720(12)
_cell_length_b                   15.514(3)
_cell_length_c                   18.2190(18)
_cell_measurement_temperature    293(2)
_cell_volume                     3048.7(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.715
_refine_ls_R_factor_obs          0.0791
_refine_ls_wR_factor_obs         0.1951
_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 (50 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               4062101
Disproportionation of Rh^II^(cod) to Rh^I^(cod) and Rh^III^(cycloocta-2,5-dien-1-yl); Hydrogen atom transfer vs electron and proton transfer.
Hetterscheid, Dennis G.H.; de Bruin, Bas; Smits, Jan M. M.; Gal, Anton W.; Organometallics  (2003) –; doi:

data_4062102
_publ_section_title
;
Disproportionation of Rh^II^(cod) to Rh^I^(cod) and
Rh^III^(cycloocta-2,5-dien-1-yl); Hydrogen atom transfer vs electron
and proton transfer.
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C20.5 H27 Cl F12 N3 P2 Rh'
_chemical_formula_weight         743.75
_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                 108.30(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   32.085(9)
_cell_length_b                   10.0677(11)
_cell_length_c                   18.052(4)
_cell_measurement_temperature    293(2)
_cell_volume                     5537(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.785
_refine_ls_R_factor_obs          0.0617
_refine_ls_wR_factor_obs         0.1578
_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 (44 times).

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_original_formula_sum        'C20.50 H27 Cl F12 N3 P2 Rh'
_cod_database_code               4062102
Chalcogen centered spirocyclic mixed metal carbonyl complexes: Synthesis and molecular structures of (CO)~8~(μ-PCy~2~)Re~2~(μ~4~-E)Fe~2~(μ-ER)(CO)~6~ and ((CO)~8~(μ-PCy~2~)Re~2~(μ~4~-E)Fe~2~(CO)~6~)~2~(μ~4~-E~2~) (E = S, Se, Te; R = org. residue)
Klose, Stefanie; Flörke, Ulrich; Mathur, Pradeep; Egold, Hans; Organometallics  (2003) –; doi:

data_4062103
_publ_section_title
;
Chalcogen centered spirocyclic mixed metal carbonyl complexes:
Synthesis and molecular structures of
(CO)~8~(\m-PCy~2~)Re~2~(\m~4~-E)Fe~2~(\m-ER)(CO)~6~ and
((CO)~8~(\m-PCy~2~)Re~2~(\m~4~-E)Fe~2~(CO)~6~)~2~(\m~4~-E~2~)
(E = S, Se, Te; R = org. residue)
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C27 H25 Fe2 O14 P Re2 S2'
_chemical_formula_weight         1152.66
_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                 93.73(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.766(5)
_cell_length_b                   17.954(2)
_cell_length_c                   20.300(2)
_cell_measurement_temperature    203(2)
_cell_volume                     3551.8(19)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    2.156
_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               4062103
Chalcogen centered spirocyclic mixed metal carbonyl complexes: Synthesis and molecular structures of (CO)~8~(μ-PCy~2~)Re~2~(μ~4~-E)Fe~2~(μ-ER)(CO)~6~ and ((CO)~8~(μ-PCy~2~)Re~2~(μ~4~-E)Fe~2~(CO)~6~)~2~(μ~4~-E~2~) (E = S, Se, Te; R = org. residue)
Klose, Stefanie; Flörke, Ulrich; Mathur, Pradeep; Egold, Hans; Organometallics  (2003) –; doi:

data_4062104
_publ_section_title
;
Chalcogen centered spirocyclic mixed metal carbonyl complexes:
Synthesis and molecular structures of
(CO)~8~(\m-PCy~2~)Re~2~(\m~4~-E)Fe~2~(\m-ER)(CO)~6~ and
((CO)~8~(\m-PCy~2~)Re~2~(\m~4~-E)Fe~2~(CO)~6~)~2~(\m~4~-E~2~)
(E = S, Se, Te; R = org. residue)
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C27 H25 Fe2 O14 P Re2 Se2'
_chemical_formula_sum            'C27 H25 Fe2 O14 P Re2 Se2'
_chemical_formula_weight         1246.46
_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                 93.25(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.857(3)
_cell_length_b                   18.234(3)
_cell_length_c                   20.473(5)
_cell_measurement_temperature    293(2)
_cell_volume                     3673.7(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.254
_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               4062104
Chalcogen centered spirocyclic mixed metal carbonyl complexes: Synthesis and molecular structures of (CO)~8~(μ-PCy~2~)Re~2~(μ~4~-E)Fe~2~(μ-ER)(CO)~6~ and ((CO)~8~(μ-PCy~2~)Re~2~(μ~4~-E)Fe~2~(CO)~6~)~2~(μ~4~-E~2~) (E = S, Se, Te; R = org. residue)
Klose, Stefanie; Flörke, Ulrich; Mathur, Pradeep; Egold, Hans; Organometallics  (2003) –; doi:

data_4062105
_publ_section_title
;
Chalcogen centered spirocyclic mixed metal carbonyl complexes:
Synthesis and molecular structures of
(CO)~8~(\m-PCy~2~)Re~2~(\m~4~-E)Fe~2~(\m-ER)(CO)~6~ and
((CO)~8~(\m-PCy~2~)Re~2~(\m~4~-E)Fe~2~(CO)~6~)~2~(\m~4~-E~2~)
(E = S, Se, Te; R = org. residue)
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C27 H25 Fe2 O14 P Re2 Te2'
_chemical_formula_sum            'C27 H25 Fe2 O14 P Re2 Te2'
_chemical_formula_weight         1343.74
_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                68.577(1)
_cell_angle_beta                 87.538(1)
_cell_angle_gamma                89.335(1)
_cell_formula_units_Z            2
_cell_length_a                   9.2896(4)
_cell_length_b                   13.0401(6)
_cell_length_c                   15.9914(8)
_cell_measurement_temperature    153(2)
_cell_volume                     1801.63(14)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    2.477
_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 
;
_cod_database_code               4062105
Chalcogen centered spirocyclic mixed metal carbonyl complexes: Synthesis and molecular structures of (CO)~8~(μ-PCy~2~)Re~2~(μ~4~-E)Fe~2~(μ-ER)(CO)~6~ and ((CO)~8~(μ-PCy~2~)Re~2~(μ~4~-E)Fe~2~(CO)~6~)~2~(μ~4~-E~2~) (E = S, Se, Te; R = org. residue)
Klose, Stefanie; Flörke, Ulrich; Mathur, Pradeep; Egold, Hans; Organometallics  (2003) –; doi:

data_4062106
_publ_section_title
;
Chalcogen centered spirocyclic mixed metal carbonyl complexes:
Synthesis and molecular structures of
(CO)~8~(\m-PCy~2~)Re~2~(\m~4~-E)Fe~2~(\m-ER)(CO)~6~ and
((CO)~8~(\m-PCy~2~)Re~2~(\m~4~-E)Fe~2~(CO)~6~)~2~(\m~4~-E~2~)
(E = S, Se, Te; R = org. residue)
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C52 H44 Fe4 O28 P2 Re4 S4, 0.5 C H2 Cl2'
_chemical_formula_sum            'C52.5 H45 Cl Fe4 O28 P2 Re4 S4'
_chemical_formula_weight         2317.71
_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                 102.01(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.793(3)
_cell_length_b                   15.605(5)
_cell_length_c                   32.027(9)
_cell_measurement_temperature    203(2)
_cell_volume                     7231(3)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    2.129
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C52.50 H45 Cl Fe4 O28 P2 Re4 S4'
_cod_database_code               4062106
Chalcogen centered spirocyclic mixed metal carbonyl complexes: Synthesis and molecular structures of (CO)~8~(μ-PCy~2~)Re~2~(μ~4~-E)Fe~2~(μ-ER)(CO)~6~ and ((CO)~8~(μ-PCy~2~)Re~2~(μ~4~-E)Fe~2~(CO)~6~)~2~(μ~4~-E~2~) (E = S, Se, Te; R = org. residue)
Klose, Stefanie; Flörke, Ulrich; Mathur, Pradeep; Egold, Hans; Organometallics  (2003) –; doi:

data_4062107
_publ_section_title
;
Chalcogen centered spirocyclic mixed metal carbonyl complexes:
Synthesis and molecular structures of
(CO)~8~(\m-PCy~2~)Re~2~(\m~4~-E)Fe~2~(\m-ER)(CO)~6~ and
((CO)~8~(\m-PCy~2~)Re~2~(\m~4~-E)Fe~2~(CO)~6~)~2~(\m~4~-E~2~)
(E = S, Se, Te; R = org. residue)
;
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_moiety         'C52 H44 Fe4 O28 P2 Re4 Se4'
_chemical_formula_sum            'C52 H44 Fe4 O28 P2 Re4 Se4'
_chemical_formula_weight         2462.85
_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                69.958(2)
_cell_angle_beta                 79.061(1)
_cell_angle_gamma                77.534(1)
_cell_formula_units_Z            1
_cell_length_a                   9.3334(7)
_cell_length_b                   11.9734(9)
_cell_length_c                   17.0212(13)
_cell_measurement_temperature    133(2)
_cell_volume                     1730.9(2)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    2.363
_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 
;
_cod_database_code               4062107