LMucko/crystallography-open-database huggingface dataset:
T.Grob; G.Seybert; W.Massa; K.Harms; K.Dehnicke; Z.Anorg.Allg.Chem. 626 (2000) 1361–; doi:10.1002/(SICI)1521-3749(200006)626:6<1361::AID-ZAAC1361>3.0.CO;2-X

data_1100186
_journal_name_full               Z.Anorg.Allg.Chem.
_journal_page_first              1361
_journal_paper_doi
10.1002/(SICI)1521-3749(200006)626:6<1361::AID-ZAAC1361>3.0.CO;2-X
_journal_volume                  626
_journal_year                    2000
_chemical_formula_moiety
;
C88 H92 I1 N4 O4 P4 Y2 1+,I3 1-,6.5(C4 H8 O1)
;
_chemical_formula_sum            'C114 H144 I4 N4 O10.5 P4 Y2'
_chemical_name_systematic
;
(\m~2~-Iodo)-bis((\m~2~-triphenylphosphoraneiminato)-triphenylphosphoraneimina
to-bis(tetrahydrofuran)-yttrium) tri-iodide tetrahydrofuran solvate
;
_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                74.929(15)
_cell_angle_beta                 84.223(14)
_cell_angle_gamma                64.612(12)
_cell_formula_units_Z            2
_cell_length_a                   17.3969(18)
_cell_length_b                   17.701(2)
_cell_length_c                   21.538(3)
_cell_volume                     5785.395
_diffrn_ambient_temperature      103
_exptl_crystal_colour            dark.
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_description       plate
_refine_ls_R_factor_gt           6.38
_refine_ls_wR_factor_gt          6.38
_cod_database_code               1100186
Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution
Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt; Synthesis 2001 (2001) 1395–1405; doi:10.1055/s-2001-15231

data_1100187
_publ_section_title
;
 Synthesis of Enantiomerically Pure
 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones
 as Chiral Host Compounds for Enantioselective Photochemical
 Reactions in Solution
;
_journal_coden_ASTM              SYNTBF
_journal_issue                   9
_journal_name_full               Synthesis
_journal_page_first              1395
_journal_page_last               1405
_journal_paper_doi               10.1055/s-2001-15231
_journal_volume                  2001
_journal_year                    2001
_chemical_formula_moiety         'C22 H35 N1 O4,0.17(C1 H2 Cl2)'
_chemical_formula_sum            'C22.17 H35.34 Cl0.34 N O4'
_chemical_melting_point          427.15
_chemical_name_systematic
;
p-Menth-3-yl 1,3,5-trimethylcyclohexane-1,3-dicarboximide-5-carboxylate dichloromethane solvate
;
_space_group_IT_number           146
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   28.224(1)
_cell_length_b                   28.224(1)
_cell_length_c                   15.262(1)
_cell_volume                     10528.808
_diffrn_ambient_temperature      293
_exptl_crystal_colour            colorless.
_exptl_crystal_density_diffrn    1.112
_exptl_crystal_description       prism
_refine_ls_R_factor_gt           5.16
_refine_ls_wR_factor_gt          5.16
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        'C22.17 H35.34 Cl0.34 N1 O4'
_cod_database_code               1100187
Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution
Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt; Synthesis 2001 (2001) 1395–1405; doi:10.1055/s-2001-15231

data_1100188
_publ_section_title
;
 Synthesis of Enantiomerically Pure
 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones
 as Chiral Host Compounds for Enantioselective Photochemical
 Reactions in Solution
;
_journal_coden_ASTM              SYNTBF
_journal_issue                   9
_journal_name_full               Synthesis
_journal_page_first              1395
_journal_page_last               1405
_journal_paper_doi               10.1055/s-2001-15231
_journal_volume                  2001
_journal_year                    2001
_chemical_formula_moiety         'C22 H24 N2 O2'
_chemical_formula_sum            'C22 H24 N2 O2'
_chemical_melting_point          565.15
_chemical_name_systematic
;
rac-1,5,7-Trimethyl-7-(1'-oxa-3'-azacyclopenta(b)naphthalen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one
;
_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
_cell_angle_beta                 111.665(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.372(2)
_cell_length_b                   14.9124(13)
_cell_length_c                   11.545(3)
_cell_volume                     1819.540
_diffrn_ambient_temperature      223
_exptl_crystal_colour            'light yellow.'
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_description       Prism
_refine_ls_R_factor_gt           6.49
_refine_ls_wR_factor_gt          6.49
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1100188
Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution
Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt; Synthesis 2001 (2001) 1395–1405; doi:10.1055/s-2001-15231

data_1100189
_publ_section_title
;
 Synthesis of Enantiomerically Pure
 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones
 as Chiral Host Compounds for Enantioselective Photochemical
 Reactions in Solution
;
_journal_coden_ASTM              SYNTBF
_journal_issue                   9
_journal_name_full               Synthesis
_journal_page_first              1395
_journal_page_last               1405
_journal_paper_doi               10.1055/s-2001-15231
_journal_volume                  2001
_journal_year                    2001
_chemical_formula_moiety         'C22 H28 N2 O2,0.33(H2 O1)'
_chemical_formula_sum            'C22 H28.66 N2 O2.33'
_chemical_name_systematic
;
ent-1,5,7-Trimethyl-7-(5',6',7',8'-tetrahydro-1'-oxa-3'-azacyclopenta(b)naphthalen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one hydrate
;
_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                   7.6041(8)
_cell_length_b                   15.9342(11)
_cell_length_c                   16.4592(11)
_cell_volume                     1994.283
_diffrn_ambient_temperature      173
_exptl_crystal_colour            colorless.
_exptl_crystal_density_diffrn    1.194
_exptl_crystal_description       fragment
_refine_ls_R_factor_gt           3.05
_refine_ls_wR_factor_gt          3.05
_cod_database_code               1100189
Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution
Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt; Synthesis 2001 (2001) 1395–1405; doi:10.1055/s-2001-15231

data_1100190
_publ_section_title
;
 Synthesis of Enantiomerically Pure
 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones
 as Chiral Host Compounds for Enantioselective Photochemical
 Reactions in Solution
;
_journal_coden_ASTM              SYNTBF
_journal_issue                   9
_journal_name_full               Synthesis
_journal_page_first              1395
_journal_page_last               1405
_journal_paper_doi               10.1055/s-2001-15231
_journal_volume                  2001
_journal_year                    2001
_chemical_formula_moiety         'C22 H28 N2 O2,0.33(H2 O1)'
_chemical_formula_sum            'C22 H28.66 N2 O2.33'
_chemical_name_systematic
;
ent-1,5,7-Trimethyl-7-(5',6',7',8'-tetrahydro-1'-oxa-3'-azacyclopenta(b)naphthalen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one hydrate
;
_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                   7.6183(2)
_cell_length_b                   16.0920(6)
_cell_length_c                   16.4887(6)
_cell_volume                     2021.410
_diffrn_ambient_temperature      293
_exptl_crystal_colour            colorless.
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_description       fragment
_refine_ls_R_factor_gt           3.06
_refine_ls_wR_factor_gt          3.06
_cod_database_code               1100190
Unexpected formation of gallium‒gallium single bonds by irradiation of the hydride [(Me~3~C)~2~GaH]~3~
Uhl, Werner; Cuypers, Lars; Geiseler, Gertraud; Harms, Klaus; Neumüller, Bernhard; Journal of the Chemical Society, Dalton Transactions  (2001) 2398–2400; doi:10.1039/b103409j

data_1100191
_publ_section_title
;
 Unexpected formation of gallium--gallium single bonds by irradiation of
 the hydride [(Me~3~C)~2~GaH]~3~
;
_journal_coden_ASTM              JCSDAA
_journal_issue                   16
_journal_name_full
;
 Journal of the Chemical Society, Dalton Transactions
;
_journal_page_first              2398
_journal_page_last               2400
_journal_paper_doi               10.1039/b103409j
_journal_year                    2001
_chemical_formula_moiety         'C32 H78 Ga6'
_chemical_formula_sum            'C32 H78 Ga6'
_chemical_melting_point          431.15
_chemical_name_common            octakis(t-Butyl)-hypho-hexagallane(6)
_chemical_name_systematic
;
hexakis(\m~2~-Hydrido)-octakis(t-butyl)-hexa-gallium
;
_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                 101.582(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.4126(8)
_cell_length_b                   17.328(2)
_cell_length_c                   18.359(1)
_cell_volume                     4491.647
_diffrn_ambient_temperature      193
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_preparation       pentafluorobenzene
_refine_ls_R_factor_gt           5.76
_refine_ls_wR_factor_gt          5.76
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1100191
Phosphabenzenes as Monodentate π-Acceptor Ligands for Rhodium-Catalyzed Hydroformylation
Breit, Bernhard; Winde, Roland; Mackewitz, Thomas; Paciello, Rocco; Harms, Klaus; Chemistry - A European Journal 7 (2001) –3121; doi:10.1002/1521-3765(20010716)7:14<3106::aid-chem3106>3.0.co;2-y

data_1100192
_publ_section_title
;
 Phosphabenzenes as Monodentate \p-Acceptor Ligands for Rhodium-Catalyzed
 Hydroformylation
;
_journal_coden_ASTM              CEUJED
_journal_issue                   14
_journal_name_full               'Chemistry - A European Journal'
_journal_page_last               3121
_journal_paper_doi
10.1002/1521-3765(20010716)7:14<3106::aid-chem3106>3.0.co;2-y
_journal_volume                  7
_journal_year                    2001
_chemical_formula_moiety
;
C47 H34 Cl1 O1 P2 Rh1,0.5(C1 H2 Cl2)
;
_chemical_formula_sum            'C47.5 H35 Cl2 O P2 Rh'
_chemical_name_systematic
;
trans-Carbonyl-chloro-bis(2,4,6-triphenylphosphabenzene)-rhodium dichloromethane solvate
;
_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                79.09(1)
_cell_angle_beta                 74.83(1)
_cell_angle_gamma                74.74(1)
_cell_formula_units_Z            2
_cell_length_a                   10.966(1)
_cell_length_b                   13.868(1)
_cell_length_c                   14.306(1)
_cell_volume                     2008.754
_diffrn_ambient_temperature      193
_exptl_crystal_colour            yellow.
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_description       irregular
_refine_ls_R_factor_gt           7.16
_refine_ls_wR_factor_gt          7.16
_cod_original_formula_sum        'C47.5 H35 Cl2 O1 P2 Rh1'
_cod_database_code               1100192
K.Harms; M.Marsch; Private Communication  (2000) –; doi:

data_1100193
_journal_name_full               'Private Communication'
_journal_year                    2000
_chemical_formula_moiety
;
C20 H26 N2
;
_chemical_formula_sum            'C20 H26 N2'
_chemical_name_systematic
;
4,4'-Di-t-butylazobenzene
;
_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                 96.089(18)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.3611(16)
_cell_length_b                   16.313(4)
_cell_length_c                   8.6460(15)
_cell_volume                     892.122
_diffrn_ambient_temperature      213
_refine_ls_R_factor_gt           6.55
_refine_ls_wR_factor_gt          6.55
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1100193
K.Harms; M.Marsch; Private Communication  (2000) –; doi:

data_1100194
_journal_name_full               'Private Communication'
_journal_year                    2000
_chemical_formula_moiety
;
C23 H23 N1 O2
;
_chemical_formula_sum            'C23 H23 N O2'
_chemical_name_systematic
;
2-(Adamantyl)-7-nitrofluorene
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_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                 98.280(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.3847(2)
_cell_length_b                   6.8914(4)
_cell_length_c                   14.8257(4)
_cell_volume                     847.734
_diffrn_ambient_temperature      223
_exptl_crystal_density_diffrn    1.353
_refine_ls_R_factor_gt           5.82
_refine_ls_wR_factor_gt          5.82
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_original_formula_sum        'C23 H23 N1 O2'
_cod_database_code               1100194
K.Harms; M.Marsch; Private Communication  (2000) –; doi:

data_1100195
_journal_name_full               'Private Communication'
_journal_year                    2000
_chemical_formula_moiety
;
2(C12 H30 Li1 O6 1+),Cl4 Mo2 O5 2-
;
_chemical_formula_sum            'C24 H60 Cl4 Li2 Mo2 O17'
_chemical_name_systematic
;
bis(tris(1,2-Dimethoxyethane-O,O')-lithium) bis(\m~2~-chloro)-(\m~2~-oxo)-dich
loro-tetraoxo-di-molybdenum
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.449(2)
_cell_length_b                   12.7631(12)
_cell_length_c                   16.5388(15)
_cell_volume                     4316.505
_diffrn_ambient_temperature      208
_exptl_crystal_density_diffrn    1.49
_refine_ls_R_factor_gt           6.76
_refine_ls_wR_factor_gt          6.76
_cod_database_code               1100195
K.Harms; M.Marsch; Private Communication  (2000) –; doi:

data_1100196
_journal_name_full               'Private Communication'
_journal_year                    2000
_chemical_formula_moiety
;
C19 H16 O1
;
_chemical_formula_sum            'C19 H16 O'
_chemical_name_systematic
;
1-(2-Hydroxyprop-2-yl)pyrene
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   30.5918(13)
_cell_length_b                   30.5918(13)
_cell_length_c                   7.7464(10)
_cell_volume                     6278.279
_diffrn_ambient_temperature      ?
_exptl_crystal_density_diffrn    1.239
_refine_ls_R_factor_gt           5.07
_refine_ls_wR_factor_gt          5.07
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'C19 H16 O1'
_cod_database_code               1100196
U.Muller; K.Dehnicke; R.Hillwig; K.Harms; J.Pebler; A.Pilz; Private Communication  (2000) –; doi:

data_1100197
_journal_name_full               'Private Communication'
_journal_year                    2000
_chemical_formula_moiety
;
C6 H18 Br1 N1 Sb2
;
_chemical_formula_sum            'C6 H18 Br N Sb2'
_chemical_name_systematic
;
Bromo(trimethyl)stibinimino-trimethylstibine
;
_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                 93.90(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.163(2)
_cell_length_b                   17.466(6)
_cell_length_c                   10.565(3)
_cell_volume                     1318.715
_diffrn_ambient_temperature      197
_exptl_crystal_density_diffrn    2.154
_refine_ls_R_factor_gt           6.46
_refine_ls_wR_factor_gt          6.46
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C6 H18 Br1 N1 Sb2'
_cod_database_code               1100197
The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates
John, Michael; Auel, Carsten; Behrens, Christoph; Marsch, Michael; Harms, Klaus; Bosold, Ferdinand; Gschwind, Ruth M.; Rajamohanan, Pattuparambil R.; Boche, Gernot; Chemistry - A European Journal 6 (2000) 3060–3068; doi:10.1002/1521-3765(20000818)6:16<3060::AID-CHEM3060>3.0.CO;2-M

data_1100198
_publ_section_title
;
 The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates
;
_journal_issue                   16
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              3060
_journal_page_last               3068
_journal_paper_doi
10.1002/1521-3765(20000818)6:16<3060::AID-CHEM3060>3.0.CO;2-M
_journal_volume                  6
_journal_year                    2000
_chemical_formula_moiety
;
C12 H30 Li1 O6 1+,C2 H6 Cu1 1-
;
_chemical_formula_sum            'C14 H36 Cu Li O6'
_chemical_name_systematic
;
tris(1,2-Dimethoxyethane)-lithium dimethyl-copper(i)
;
_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
_cell_angle_beta                 93.518(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7726(6)
_cell_length_b                   17.7023(12)
_cell_length_c                   15.1696(14)
_cell_volume                     2083.296
_diffrn_ambient_temperature      173
_exptl_crystal_colour            colorless.
_exptl_crystal_density_diffrn    1.183
_refine_ls_R_factor_gt           4.05
_refine_ls_wR_factor_gt          4.05
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C14 H36 Cu1 Li1 O6'
_cod_database_code               1100198
The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates
John, Michael; Auel, Carsten; Behrens, Christoph; Marsch, Michael; Harms, Klaus; Bosold, Ferdinand; Gschwind, Ruth M.; Rajamohanan, Pattuparambil R.; Boche, Gernot; Chemistry - A European Journal 6 (2000) 3060–3068; doi:10.1002/1521-3765(20000818)6:16<3060::AID-CHEM3060>3.0.CO;2-M

data_1100199
_publ_section_title
;
 The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates
;
_journal_issue                   16
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              3060
_journal_page_last               3068
_journal_paper_doi
10.1002/1521-3765(20000818)6:16<3060::AID-CHEM3060>3.0.CO;2-M
_journal_volume                  6
_journal_year                    2000
_chemical_formula_moiety
;
C12 H30 Li1 O6 1+,C8 H22 Cu1 Si2 1-
;
_chemical_formula_sum            'C20 H52 Cu Li O6 Si2'
_chemical_name_systematic
;
tris(1,2-Dimethoxyethane)-lithium bis(trimethylsilylmethyl)-copper(i)
;
_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                 90.858(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2161(10)
_cell_length_b                   19.2676(10)
_cell_length_c                   15.792(2)
_cell_volume                     3108.144
_diffrn_ambient_temperature      193
_exptl_crystal_density_diffrn    1.101
_refine_ls_R_factor_gt           6.65
_refine_ls_wR_factor_gt          6.65
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C20 H52 Cu1 Li1 O6 Si2'
_cod_database_code               1100199
The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates
John, Michael; Auel, Carsten; Behrens, Christoph; Marsch, Michael; Harms, Klaus; Bosold, Ferdinand; Gschwind, Ruth M.; Rajamohanan, Pattuparambil R.; Boche, Gernot; Chemistry - A European Journal 6 (2000) 3060–3068; doi:10.1002/1521-3765(20000818)6:16<3060::aid-chem3060>3.0.co;2-m

data_1100200
_publ_section_title
;
 The Relation between Ion Pair Structures and Reactivities of Lithium Cuprates
;
_journal_coden_ASTM              CEUJED
_journal_issue                   16
_journal_name_full               'Chemistry - A European Journal'
_journal_page_first              3060
_journal_page_last               3068
_journal_paper_doi
10.1002/1521-3765(20000818)6:16<3060::aid-chem3060>3.0.co;2-m
_journal_volume                  6
_journal_year                    2000
_chemical_formula_moiety         'C28 H74 Cu2 Li2 O3 Si4'
_chemical_formula_sum            'C28 H74 Cu2 Li2 O3 Si4'
_chemical_name_systematic
;
tetrakis(\m~2~-trimethylsilylmethylene)-tris(diethyl ether)-di-copper-di-lithium
;
_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                87.682(9)
_cell_angle_beta                 81.637(8)
_cell_angle_gamma                82.658(9)
_cell_formula_units_Z            2
_cell_length_a                   10.8446(7)
_cell_length_b                   10.9136(9)
_cell_length_c                   18.9558(12)
_cell_volume                     2200.886
_diffrn_ambient_temperature      193
_exptl_crystal_density_diffrn    1.075
_refine_ls_R_factor_gt           5.68
_refine_ls_wR_factor_gt          5.68
_cod_database_code               1100200