LMucko/crystallography-open-database huggingface dataset:
Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes
Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.; Organometallics 25 (2006) 1377–1391; doi:10.1021/om050922g

data_4060887
_publ_section_title
;
 Synthesis, Characterization, and Transition-Metal Complexes of
 3,4-Diazaphospholanes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1377
_journal_page_last               1391
_journal_paper_doi               10.1021/om050922g
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C56.75 H51.75 Cl5 N4 O4 P2 Pd'
_chemical_formula_weight         1199.36
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.6677(10)
_cell_length_b                   21.4096(14)
_cell_length_c                   32.520(2)
_cell_measurement_temperature    173(2)
_cell_volume                     10908.5(12)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.461
_cod_duplicate_entry             4074832
_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_original_sg_symbol_H-M      'P ? ? ?'
_cod_database_code               4060887
Palladium-Catalyzed Pathways to Aryl-Substituted Indenes: Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes
Izmer, Vyatcheslav V.; Lebedev, Artyom Y.; Nikulin, Mikhail V.; Ryabov, Alexey N.; Asachenko, Andrei F.; Lygin, Alexander V.; Sorokin, Denis A.; Voskoboynikov, Alexander Z.; Organometallics 25 (2006) 1217–1229; doi:10.1021/om050937e

data_4060888
_publ_section_title
;
 Palladium-Catalyzed Pathways to Aryl-Substituted Indenes:
 Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1217
_journal_page_last               1229
_journal_paper_doi               10.1021/om050937e
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C11 H15 B O3'
_chemical_formula_sum            'C11 H15 B O3'
_chemical_formula_weight         206.04
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.84(3)
_cell_angle_beta                 72.12(3)
_cell_angle_gamma                78.97(3)
_cell_formula_units_Z            2
_cell_length_a                   7.7770(16)
_cell_length_b                   8.5360(17)
_cell_length_c                   8.7480(17)
_cell_measurement_temperature    293(2)
_cell_volume                     539.33(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.269
_cod_duplicate_entry             4074843
_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               4060888
Palladium-Catalyzed Pathways to Aryl-Substituted Indenes: Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes
Izmer, Vyatcheslav V.; Lebedev, Artyom Y.; Nikulin, Mikhail V.; Ryabov, Alexey N.; Asachenko, Andrei F.; Lygin, Alexander V.; Sorokin, Denis A.; Voskoboynikov, Alexander Z.; Organometallics 25 (2006) 1217–1229; doi:10.1021/om050937e

data_4060890
_publ_section_title
;
 Palladium-Catalyzed Pathways to Aryl-Substituted Indenes:
 Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1217
_journal_page_last               1229
_journal_paper_doi               10.1021/om050937e
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C46 H38 Cl2 Si Zr, 0.5(C7 H8)'
_chemical_formula_sum            'C49.5 H42 Cl2 Si Zr'
_chemical_formula_weight         827.04
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                66.730(4)
_cell_angle_beta                 82.080(5)
_cell_angle_gamma                74.276(4)
_cell_formula_units_Z            2
_cell_length_a                   9.961(3)
_cell_length_b                   13.732(4)
_cell_length_c                   16.317(4)
_cell_measurement_temperature    110(2)
_cell_volume                     1972.3(9)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.393
_cod_duplicate_entry             4074844
_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_original_formula_sum        'C49.50 H42 Cl2 Si Zr'
_cod_database_code               4060890
Palladium-Catalyzed Pathways to Aryl-Substituted Indenes: Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes
Izmer, Vyatcheslav V.; Lebedev, Artyom Y.; Nikulin, Mikhail V.; Ryabov, Alexey N.; Asachenko, Andrei F.; Lygin, Alexander V.; Sorokin, Denis A.; Voskoboynikov, Alexander Z.; Organometallics 25 (2006) 1217–1229; doi:10.1021/om050937e

data_4060891
_publ_section_title
;
 Palladium-Catalyzed Pathways to Aryl-Substituted Indenes:
 Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1217
_journal_page_last               1229
_journal_paper_doi               10.1021/om050937e
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C38 H42 Cl2 S2 Si Zr, C7 H8'
_chemical_formula_sum            'C45 H50 Cl2 S2 Si Zr'
_chemical_formula_weight         845.18
_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                 97.91(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.373(2)
_cell_length_b                   22.669(5)
_cell_length_c                   17.646(4)
_cell_measurement_temperature    112(2)
_cell_volume                     4109.9(14)
_diffrn_ambient_temperature      112(2)
_exptl_crystal_density_diffrn    1.366
_cod_duplicate_entry             4074845
_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               4060891
The PPh3-Substituted Hydroxycyclopentadienyl Ruthenium Hydride [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Is a More Efficient Catalyst for Hydrogenation of Aldehydes
Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Vos, Thomas E.; Khodavandi, Babak; Guzei, Ilia A.; Organometallics 25 (2006) 1230–1235; doi:10.1021/om0509387

data_4060892
_publ_section_title
;
 The PPh3-Substituted Hydroxycyclopentadienyl Ruthenium Hydride
 [2,5-Ph2-3,4-Tol2(\h5-C4COH)]Ru(CO)(PPh3)H Is a More Efficient Catalyst
 for Hydrogenation of Aldehydes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1230
_journal_page_last               1235
_journal_paper_doi               10.1021/om0509387
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C60.95 H59.6 Cl O3.7 P Ru'
_chemical_formula_weight         1018.78
_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                 91.7370(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6796(5)
_cell_length_b                   20.7933(9)
_cell_length_c                   22.8821(10)
_cell_measurement_temperature    100(2)
_cell_volume                     5079.0(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.332
_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_original_formula_sum        'C60.95 H59.60 Cl O3.70 P Ru'
_cod_database_code               4060892
The PPh3-Substituted Hydroxycyclopentadienyl Ruthenium Hydride [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Is a More Efficient Catalyst for Hydrogenation of Aldehydes
Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Vos, Thomas E.; Khodavandi, Babak; Guzei, Ilia A.; Organometallics 25 (2006) 1230–1235; doi:10.1021/om0509387

data_4060893
_publ_section_title
;
 The PPh3-Substituted Hydroxycyclopentadienyl Ruthenium Hydride
 [2,5-Ph2-3,4-Tol2(\h5-C4COH)]Ru(CO)(PPh3)H Is a More Efficient Catalyst
 for Hydrogenation of Aldehydes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1230
_journal_page_last               1235
_journal_paper_doi               10.1021/om0509387
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C53.50 H45 O2 P Ru'
_chemical_formula_sum            'C53.5 H45 O2 P Ru'
_chemical_formula_weight         851.93
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                81.6760(10)
_cell_angle_beta                 89.1390(10)
_cell_angle_gamma                83.6010(10)
_cell_formula_units_Z            4
_cell_length_a                   10.8661(10)
_cell_length_b                   17.4160(15)
_cell_length_c                   22.728(2)
_cell_measurement_temperature    100(2)
_cell_volume                     4229.2(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.338
_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_original_formula_sum        'C53.50 H45 O2 P Ru'
_cod_database_code               4060893
The PPh3-Substituted Hydroxycyclopentadienyl Ruthenium Hydride [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Is a More Efficient Catalyst for Hydrogenation of Aldehydes
Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Vos, Thomas E.; Khodavandi, Babak; Guzei, Ilia A.; Organometallics 25 (2006) 1230–1235; doi:10.1021/om0509387

data_4060894
_publ_section_title
;
 The PPh3-Substituted Hydroxycyclopentadienyl Ruthenium Hydride
 [2,5-Ph2-3,4-Tol2(\h5-C4COH)]Ru(CO)(PPh3)H Is a More Efficient Catalyst
 for Hydrogenation of Aldehydes
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1230
_journal_page_last               1235
_journal_paper_doi               10.1021/om0509387
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C64 H53 O4 P Ru'
_chemical_formula_weight         1018.10
_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                97.026(6)
_cell_angle_beta                 99.200(7)
_cell_angle_gamma                98.692(5)
_cell_formula_units_Z            2
_cell_length_a                   11.012(3)
_cell_length_b                   13.278(4)
_cell_length_c                   18.598(5)
_cell_measurement_temperature    295(2)
_cell_volume                     2623.6(12)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.289
_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               4060894
PPh3-Substituted [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Exhibits Slower Stoichiometric Reduction, Faster Catalytic Hydrogenation, and Higher Chemoselectivity for Hydrogenation of Aldehydes over Ketones Than the Dicarbonyl Shvo Catalyst
Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Guzei, Ilia A.; Organometallics 25 (2006) 1236–1244; doi:10.1021/om050939z

data_4060895
_publ_section_title
;
 PPh3-Substituted [2,5-Ph2-3,4-Tol2(\h5-C4COH)]Ru(CO)(PPh3)H Exhibits Slower
 Stoichiometric Reduction, Faster Catalytic Hydrogenation, and Higher
 Chemoselectivity for Hydrogenation of Aldehydes over Ketones Than the
 Dicarbonyl Shvo Catalyst
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1236
_journal_page_last               1244
_journal_paper_doi               10.1021/om050939z
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C68 H54 O2 P2 Ru'
_chemical_formula_weight         1066.12
_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                 93.366(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8831(18)
_cell_length_b                   20.523(3)
_cell_length_c                   21.063(3)
_cell_measurement_temperature    100(2)
_cell_volume                     5127.8(13)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.381
_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               4060895
PPh3-Substituted [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Exhibits Slower Stoichiometric Reduction, Faster Catalytic Hydrogenation, and Higher Chemoselectivity for Hydrogenation of Aldehydes over Ketones Than the Dicarbonyl Shvo Catalyst
Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Guzei, Ilia A.; Organometallics 25 (2006) 1236–1244; doi:10.1021/om050939z

data_4060896
_publ_section_title
;
 PPh3-Substituted [2,5-Ph2-3,4-Tol2(\h5-C4COH)]Ru(CO)(PPh3)H Exhibits Slower
 Stoichiometric Reduction, Faster Catalytic Hydrogenation, and Higher
 Chemoselectivity for Hydrogenation of Aldehydes over Ketones Than the
 Dicarbonyl Shvo Catalyst
;
_journal_coden_ASTM              ORGND7
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1236
_journal_page_last               1244
_journal_paper_doi               10.1021/om050939z
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C59 H48 N O2.50 P Ru'
_chemical_formula_sum            'C59 H48 N O2.5 P Ru'
_chemical_formula_weight         943.02
_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                96.7340(10)
_cell_angle_beta                 97.1040(10)
_cell_angle_gamma                97.2150(10)
_cell_formula_units_Z            2
_cell_length_a                   12.2471(10)
_cell_length_b                   13.4125(11)
_cell_length_c                   14.5482(12)
_cell_measurement_temperature    100(2)
_cell_volume                     2331.1(3)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.343
_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_original_formula_sum        'C59 H48 N O2.50 P Ru'
_cod_database_code               4060896
Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC Triple Bond
Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel; Organometallics 25 (2006) 1492–1499; doi:10.1021/om050941q

data_4060897
_publ_section_title
;
 Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual
 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC
 Triple Bond
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1492
_journal_page_last               1499
_journal_paper_doi               10.1021/om050941q
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C37.5 H19 Cl N2 O15 Ru6'
_chemical_formula_weight         1379.42
_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                 97.587(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.171(7)
_cell_length_b                   17.315(7)
_cell_length_c                   15.119(6)
_cell_measurement_temperature    296(2)
_cell_volume                     4715(3)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.943
_cod_duplicate_entry             4074846
_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        'C37.50 H19 Cl N2 O15 Ru6'
_cod_database_code               4060897
Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC Triple Bond
Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel; Organometallics 25 (2006) 1492–1499; doi:10.1021/om050941q

data_4060898
_publ_section_title
;
 Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual
 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC
 Triple Bond
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1492
_journal_page_last               1499
_journal_paper_doi               10.1021/om050941q
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C37 H18 N2 O15 Ru6'
_chemical_formula_sum            'C37 H18 N2 O15 Ru6'
_chemical_formula_weight         1336.95
_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                 97.009(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.567(4)
_cell_length_b                   12.218(3)
_cell_length_c                   18.911(4)
_cell_measurement_temperature    296(2)
_cell_volume                     4028.7(15)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    2.204
_cod_duplicate_entry             4074847
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060898