LMucko/crystallography-open-database huggingface dataset:
Metal π complexes of benzene derivatives: XLIII1. Intramolecular interactions between bis(benzene) chromium and cymantrene units in di- and tri-nuclear species containing PMe~2~ spacers, as studied by CV and EPR
Elschenbroich, Christoph; Isenburg, Thomas; Metz, Bernhard; Behrendt, Andreas; Harms, Klaus; Journal of Organometallic Chemistry 481 (1994) 153–165; doi:10.1016/0022-328x(94)85020-8

data_1100397
_publ_section_title
;
 Metal \p complexes of benzene derivatives: XLIII1. Intramolecular
 interactions between bis(benzene) chromium and cymantrene units
 in di- and tri-nuclear species containing PMe~2~ spacers, as studied
 by CV and EPR
;
_journal_coden_ASTM              JORCAI
_journal_issue                   2
_journal_name_full               'Journal of Organometallic Chemistry'
_journal_page_first              153
_journal_page_last               165
_journal_paper_doi               10.1016/0022-328x(94)85020-8
_journal_volume                  481
_journal_year                    1994
_chemical_formula_sum            'C23.48 H30.12 Cr Mn O P2'
_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                   38.401(8)
_cell_length_b                   38.401(8)
_cell_length_c                   8.255(3)
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'C23.48 H30.12 Cr1 Mn1 O1 P2'
_cod_database_code               1100397
Asymmetric diarsines: Synthesis of dimeric pentamethylcyclopentadienylchloroarsine, dimeric pentamethylcyclopentadienyl(methyl)arsine and the crystal structure of dimeric pentamethylcyclopentadienyl(methyl)arsine
Li, X.-W.; Lorberth, J.; Harms, K.; Journal of Organometallic Chemistry 483 (1994) 229–233; doi:10.1016/0022-328x(94)87168-x

data_1100398
_publ_section_title
;
 Asymmetric diarsines: Synthesis of dimeric
 pentamethylcyclopentadienylchloroarsine, dimeric
 pentamethylcyclopentadienyl(methyl)arsine and the crystal
 structure of dimeric pentamethylcyclopentadienyl(methyl)arsine
;
_journal_coden_ASTM              JORCAI
_journal_issue                   1-2
_journal_name_full               'Journal of Organometallic Chemistry'
_journal_page_first              229
_journal_page_last               233
_journal_paper_doi               10.1016/0022-328x(94)87168-x
_journal_volume                  483
_journal_year                    1994
_chemical_formula_sum            'C22 H36 As2'
_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                101.07(1)
_cell_angle_beta                 104.56(1)
_cell_angle_gamma                113.69(1)
_cell_formula_units_Z            1
_cell_length_a                   7.345(1)
_cell_length_b                   8.594(1)
_cell_length_c                   10.673(1)
_cod_database_code               1100398
Crystal Structure of the Dimeric(4-tert-Butylthiazolato)(glyme)lithium: Carbene Character of a Formyl Anion Equivalent
Boche, Gernot; Hilf, Christof; Harms, Klaus; Marsch, Michael; Lohrenz, John C. W.; Angewandte Chemie, International Edition in English 34 (1995) 487–489; doi:10.1002/anie.199504871

data_1100399
_publ_section_title
;
 Crystal Structure of the Dimeric(4-tert-Butylthiazolato)(glyme)lithium:
 Carbene Character of a Formyl Anion Equivalent
;
_journal_coden_ASTM              ACIEAY
_journal_issue                   4
_journal_name_full
;
 Angewandte Chemie, International Edition in English
;
_journal_page_first              487
_journal_page_last               489
_journal_paper_doi               10.1002/anie.199504871
_journal_volume                  34
_journal_year                    1995
_chemical_formula_sum            'C22 H40 Li2 N2 O4 S2'
_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                   12.265
_cell_length_b                   14.544
_cell_length_c                   32.444
_cod_database_code               1100399
Chiral polymethine dyes, IV. Synthesis, absolute configuration, spectroscopic and chiroptical properties of chiral tri- and pentamethinium cyanine dyes with 1,2,3,4-tetrahydro-6-methylquinolyl end groups
Reichardt, Christian; Harms, Klaus; Kinzel, Manuela; Schäfer, Gerhard; Stein, Jörg; Wočadlo, Sigrid; Liebigs Annalen 1995 (1995) 317–327; doi:10.1002/jlac.199519950240

data_1100400
_publ_section_title
;
 Chiral polymethine dyes, IV. Synthesis, absolute configuration,
 spectroscopic and chiroptical properties of chiral tri- and
 pentamethinium cyanine dyes with 1,2,3,4-tetrahydro-6-methylquinolyl
 end groups
;
_journal_coden_ASTM              LANAEM
_journal_issue                   2
_journal_name_full               'Liebigs Annalen'
_journal_page_first              317
_journal_page_last               327
_journal_paper_doi               10.1002/jlac.199519950240
_journal_volume                  1995
_journal_year                    1995
_chemical_formula_sum            'C11 H16 Cl N O4'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.08
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.394
_cell_length_b                   8.767
_cell_length_c                   13.998
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C11 H16 Cl1 N1 O4'
_cod_database_code               1100400
Chiral polymethine dyes, IV. Synthesis, absolute configuration, spectroscopic and chiroptical properties of chiral tri- and pentamethinium cyanine dyes with 1,2,3,4-tetrahydro-6-methylquinolyl end groups
Reichardt, Christian; Harms, Klaus; Kinzel, Manuela; Schäfer, Gerhard; Stein, Jörg; Wočadlo, Sigrid; Liebigs Annalen 1995 (1995) 317–327; doi:10.1002/jlac.199519950240

data_1100401
_publ_section_title
;
 Chiral polymethine dyes, IV. Synthesis, absolute configuration,
 spectroscopic and chiroptical properties of chiral tri- and
 pentamethinium cyanine dyes with 1,2,3,4-tetrahydro-6-methylquinolyl
 end groups
;
_journal_coden_ASTM              LANAEM
_journal_issue                   2
_journal_name_full               'Liebigs Annalen'
_journal_page_first              317
_journal_page_last               327
_journal_paper_doi               10.1002/jlac.199519950240
_journal_volume                  1995
_journal_year                    1995
_chemical_formula_sum            'C27 H35 Br N2 O'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.35
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.429
_cell_length_b                   8.437
_cell_length_c                   27.388
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C27 H35 Br1 N2 O1'
_cod_database_code               1100401
Chiral polymethine dyes, V. syntheses, absolute configuration, spectroscopic, and chiroptical properties of chiral dinuclear tri- and pentamethinium as well as trinuclear [2.2.2]heptamethinediium cyanine dyes with 3-sec-butyl-1,3-dimethylindolyl end groups
Reichardt, Christian; Budnik, Ulrich; Harms, Klaus; Schäfer, Gerhard; Stein, Jörg; Liebigs Annalen 1995 (1995) 329–340; doi:10.1002/jlac.199519950241

data_1100402
_publ_section_title
;
 Chiral polymethine dyes, V. syntheses, absolute configuration,
 spectroscopic, and chiroptical properties of chiral dinuclear
 tri- and pentamethinium as well as trinuclear
 [2.2.2]heptamethinediium cyanine dyes with
 3-sec-butyl-1,3-dimethylindolyl end groups
;
_journal_coden_ASTM              LANAEM
_journal_issue                   2
_journal_name_full               'Liebigs Annalen'
_journal_page_first              329
_journal_page_last               340
_journal_paper_doi               10.1002/jlac.199519950241
_journal_volume                  1995
_journal_year                    1995
_chemical_formula_sum            'C39 H57 B F4 N2'
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.789
_cell_length_b                   8.161
_cell_length_c                   9.039
_cod_original_formula_sum        'C39 H57 B1 F4 N2'
_cod_database_code               1100402
Crystal Structure of η^3^-lithio-1,3,3-triphenylpropyne-(diethyl ether)~2~ and [1-lithio-1-(2-methoxyphenyl)-3,3-diphenylallene‒diethyl ether]~2~: Propargyl- versus allenyl-type structures
Dem'yanov, Piotr; Boche, Gernot; Marsch, Michael; Harms, Klaus; Fyodorova, Galina; Petrosyan, Valery; Liebigs Annalen 1995 (1995) 457–460; doi:10.1002/jlac.199519950361

data_1100403
_publ_section_title
;
 Crystal Structure of \h^3^-lithio-1,3,3-triphenylpropyne-(diethyl ether)~2~
 and [1-lithio-1-(2-methoxyphenyl)-3,3-diphenylallene--diethyl ether]~2~:
 Propargyl- versus allenyl-type structures
;
_journal_coden_ASTM              LANAEM
_journal_issue                   3
_journal_name_full               'Liebigs Annalen'
_journal_page_first              457
_journal_page_last               460
_journal_paper_doi               10.1002/jlac.199519950361
_journal_volume                  1995
_journal_year                    1995
_chemical_formula_sum            'C29 H35 Li O2'
_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                   7.601(2)
_cell_length_b                   17.345(3)
_cell_length_c                   19.010(6)
_cod_original_formula_sum        'C29 H35 Li1 O2'
_cod_database_code               1100403
Crystal Structure of η^3^-lithio-1,3,3-triphenylpropyne-(diethyl ether)~2~ and [1-lithio-1-(2-methoxyphenyl)-3,3-diphenylallene‒diethyl ether]~2~: Propargyl- versus allenyl-type structures
Dem'yanov, Piotr; Boche, Gernot; Marsch, Michael; Harms, Klaus; Fyodorova, Galina; Petrosyan, Valery; Liebigs Annalen 1995 (1995) 457–460; doi:10.1002/jlac.199519950361

data_1100404
_publ_section_title
;
 Crystal Structure of \h^3^-lithio-1,3,3-triphenylpropyne-(diethyl ether)~2~
 and [1-lithio-1-(2-methoxyphenyl)-3,3-diphenylallene--diethyl ether]~2~:
 Propargyl- versus allenyl-type structures
;
_journal_coden_ASTM              LANAEM
_journal_issue                   3
_journal_name_full               'Liebigs Annalen'
_journal_page_first              457
_journal_page_last               460
_journal_paper_doi               10.1002/jlac.199519950361
_journal_volume                  1995
_journal_year                    1995
_chemical_formula_sum            'C26 H27 Li O2'
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                96.94(3)
_cell_angle_beta                 93.00(3)
_cell_angle_gamma                115.58(2)
_cell_formula_units_Z            4
_cell_length_a                   11.050(5)
_cell_length_b                   11.561(5)
_cell_length_c                   19.302(9)
_cod_original_formula_sum        'C26 H27 Li1 O2'
_cod_database_code               1100404
The First Arsenido-Substituted Niobocene Derivative
Nikonov, Georgii I.; Lorberth, Jorg; Harms, Klaus; Lemenovskii, Dmitry A.; Inorganic Chemistry 34 (1995) 2461–2463; doi:10.1021/ic00113a030

data_1100405
_publ_section_title
;
 The First Arsenido-Substituted Niobocene Derivative
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   9
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2461
_journal_page_last               2463
_journal_paper_doi               10.1021/ic00113a030
_journal_volume                  34
_journal_year                    1995
_chemical_formula_sum            'C14 H22 As Nb'
_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                 108.45(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.087(2)
_cell_length_b                   15.071(3)
_cell_length_c                   12.261(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C14 H22 As1 Nb1'
_cod_database_code               1100405
Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~
Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K.; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1489–1495; doi:10.1002/zaac.19956210909

data_1100406
_publ_section_title
;
 Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid.
 Die Kristallstrukturen von [Me~3~SiNPMe~3~ &#x00B7; ICl],
 [Ph~3~PNCl &#x00B7; ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~
;
_journal_coden_ASTM              ZAACAB
_journal_issue                   9
_journal_name_full
;
 Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              1489
_journal_page_last               1495
_journal_paper_doi               10.1002/zaac.19956210909
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'C6 H18 Cl I N P Si'
_space_group_IT_number           45
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      45
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.107(2)
_cell_length_b                   18.628(3)
_cell_length_c                   9.889(1)
_cod_original_formula_sum        'C6 H18 Cl1 I1 N1 P1 Si1'
_cod_database_code               1100406
Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~
Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K.; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1489–1495; doi:10.1002/zaac.19956210909

data_1100407
_publ_section_title
;
 Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid.
 Die Kristallstrukturen von [Me~3~SiNPMe~3~ &#x00B7; ICl],
 [Ph~3~PNCl &#x00B7; ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~
;
_journal_coden_ASTM              ZAACAB
_journal_issue                   9
_journal_name_full
;
 Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              1489
_journal_page_last               1495
_journal_paper_doi               10.1002/zaac.19956210909
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'C18 H15 Cl2 I N P'
_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                   15.228(2)
_cell_length_b                   14.083(1)
_cell_length_c                   8.658(1)
_cod_original_formula_sum        'C18 H15 Cl2 I1 N1 P1'
_cod_database_code               1100407
Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid. Die Kristallstrukturen von [Me~3~SiNPMe~3~ · ICl], [Ph~3~PNCl · ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~
Grebe, J.; Harms, K.; Weller, F.; Dehnicke, K.; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1489–1495; doi:10.1002/zaac.19956210909

data_1100408
_publ_section_title
;
 Reaktionen silylierter Phosphanimine mit Iodmonochlorid und Iodtrichlorid.
 Die Kristallstrukturen von [Me~3~SiNPMe~3~ &#x00B7; ICl],
 [Ph~3~PNCl &#x00B7; ICl] und [Me~3~PN(H)PMe~3~] [ICl~2~]~2~
;
_journal_coden_ASTM              ZAACAB
_journal_issue                   9
_journal_name_full
;
 Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              1489
_journal_page_last               1495
_journal_paper_doi               10.1002/zaac.19956210909
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'C6 H19 Cl4 I2 N P2'
_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                 112.21(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.231(1)
_cell_length_b                   10.902(1)
_cell_length_c                   14.828(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C6 H19 Cl4 I2 N1 P2'
_cod_database_code               1100408
Crystal structure of a new chiral Pd(0) / diphosphine complex and its use in enantioselective allylic alkylations
Bolm, Carsten; Kaufmann, Daniel; Gessler, Simon; Harms, Klaus; Journal of Organometallic Chemistry 502 (1995) 47–52; doi:10.1016/0022-328x(95)05687-k

data_1100409
_publ_section_title
;
 Crystal structure of a new chiral Pd(0) / diphosphine complex and its
 use in enantioselective allylic alkylations
;
_journal_coden_ASTM              JORCAI
_journal_issue                   1-2
_journal_name_full               'Journal of Organometallic Chemistry'
_journal_page_first              47
_journal_page_last               52
_journal_paper_doi               10.1016/0022-328x(95)05687-k
_journal_volume                  502
_journal_year                    1995
_chemical_formula_sum            'C76 H64 O4 P4 Pd'
_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                   12.614(1)
_cell_length_b                   21.611(1)
_cell_length_c                   22.789(1)
_cod_original_formula_sum        'C76 H64 O4 P4 Pd1'
_cod_database_code               1100409
Metal π-complexes of benzene derivatives XLVIII. Dimethylphosphano derivatives of bis(benzene) chromium as monodentate and chelating ligands at μ-ethylidyne-nona(carbonyl)-tri(cobalt). Synthesis via ETC-autocatalysis, crystal structure determination and redox behavior of [(Me~2~P-η^6^-C~6~H~5~)(η^6^-C~6~H~6~)Cr[(μ-MeC)Co~3~(CO)~8~], [(Me~2~P-η^6^-C~6~H~5~)~2~Cr][(μ-MeC) Co~3~(CO)~8~]~2~ and [(Me~2~P-η^6^-C~6~H~5~)~2~Cr][μ,-MeC)Co~3~(CO)~7~]
Elschenbioich, Christoph; Isenburg, Thomas; Behrendt, Andreas; Frenzen, Gerlinde; Harms, Klaus; Journal of Organometallic Chemistry 501 (1995) 129–144; doi:10.1016/0022-328x(95)05617-x

data_1100410
_publ_section_title
;
 Metal \p-complexes of benzene derivatives XLVIII. Dimethylphosphano
 derivatives of bis(benzene) chromium as monodentate and chelating
 ligands at \m-ethylidyne-nona(carbonyl)-tri(cobalt). Synthesis via
 ETC-autocatalysis, crystal structure determination and redox behavior
 of [(Me~2~P-\h^6^-C~6~H~5~)(\h^6^-C~6~H~6~)Cr[(\m-MeC)Co~3~(CO)~8~],
 [(Me~2~P-\h^6^-C~6~H~5~)~2~Cr][(\m-MeC) Co~3~(CO)~8~]~2~ and
 [(Me~2~P-\h^6^-C~6~H~5~)~2~Cr][\m,-MeC)Co~3~(CO)~7~]
;
_journal_coden_ASTM              JORCAI
_journal_issue                   1-2
_journal_name_full               'Journal of Organometallic Chemistry'
_journal_page_first              129
_journal_page_last               144
_journal_paper_doi               10.1016/0022-328x(95)05617-x
_journal_volume                  501
_journal_year                    1995
_chemical_formula_sum            'C25 H25 Co3 Cr O7 P2'
_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                90.36(1)
_cell_angle_beta                 110.34(1)
_cell_angle_gamma                113.32(1)
_cell_formula_units_Z            2
_cell_length_a                   10.474(2)
_cell_length_b                   10.680(1)
_cell_length_c                   14.424(2)
_cod_original_formula_sum        'C25 H25 Co3 Cr1 O7 P2'
_cod_database_code               1100410