LMucko/crystallography-open-database huggingface dataset:
Carbon-Carbon Bond Formation and Fission in the Dimerization of a Nickelacycle
T. V. V. Ramakrishna; Paul R. Sharp; Organometallics  (2004) –; doi:10.1021/om0497590

data_4062916
_publ_section_title
;
Carbon-Carbon Bond Formation and Fission in the Dimerization
of a Nickelacycle
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497590
_journal_year                    2004
_chemical_formula_sum            'C36 H20'
_chemical_formula_weight         452.52
_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                 97.591(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.512(5)
_cell_length_b                   7.7037(18)
_cell_length_c                   25.655(6)
_cell_measurement_temperature    173(2)
_cell_volume                     4410.1(18)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.363
_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               4062916
Carbon-Carbon Bond Formation and Fission in the Dimerization of a Nickelacycle
T. V. V. Ramakrishna; Paul R. Sharp; Organometallics  (2004) –; doi:10.1021/om0497590

data_4062917
_publ_section_title
;
Carbon-Carbon Bond Formation and Fission in the Dimerization
of a Nickelacycle
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497590
_journal_year                    2004
_chemical_formula_sum            'C32 H20'
_chemical_formula_weight         404.48
_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                 95.589(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.0121(15)
_cell_length_b                   9.7971(10)
_cell_length_c                   13.7897(13)
_cell_measurement_temperature    173(2)
_cell_volume                     2018.5(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.331
_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               4062917
Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium
Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich; Organometallics 23 (2004) 3417–3424; doi:10.1021/om049767g

data_4062918
_publ_section_title
;
 Synthesis and Spectroscopic and Structural Investigations of the
 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals
 Sodium, Potassium, Rubidium, and Cesium
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3417
_journal_page_last               3424
_journal_paper_doi               10.1021/om049767g
_journal_volume                  23
_journal_year                    2004
_chemical_formula_moiety         '2(As C12 H20), Na2, 2(N2 C6 H16), (C7 H8)'
_chemical_formula_sum            'C43 H80 As2 N4 Na2'
_chemical_formula_weight         848.945
_chemical_name_common            AsC12H20-Na-tmeda
_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                 104.5701(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.2615(2)
_cell_length_b                   16.6347(3)
_cell_length_c                   16.1150(3)
_cell_measurement_temperature    200(2)
_cell_volume                     2402.87(8)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.17337(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062918
Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium
Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich; Organometallics 23 (2004) 3417–3424; doi:10.1021/om049767g

data_4062919
_publ_section_title
;
 Synthesis and Spectroscopic and Structural Investigations of the
 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals
 Sodium, Potassium, Rubidium, and Cesium
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3417
_journal_page_last               3424
_journal_paper_doi               10.1021/om049767g
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C32 H60 As2 O4 Rb2'
_chemical_formula_weight         829.58
_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                 91.581(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.863(2)
_cell_length_b                   17.033(3)
_cell_length_c                   16.497(2)
_cell_measurement_temperature    193(2)
_cell_volume                     3893.8(10)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.415
_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               4062919
Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium
Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich; Organometallics 23 (2004) 3417–3424; doi:10.1021/om049767g

data_4062920
_publ_section_title
;
 Synthesis and Spectroscopic and Structural Investigations of the
 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals
 Sodium, Potassium, Rubidium, and Cesium
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3417
_journal_page_last               3424
_journal_paper_doi               10.1021/om049767g
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C16 H30 As Cs O2'
_chemical_formula_weight         462.23
_chemical_name_common            '(DME)cesium 2,3,4,5-tetraethylarsolide'
_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                 96.962(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8517(8)
_cell_length_b                   11.8069(11)
_cell_length_c                   15.7508(11)
_cell_measurement_temperature    200(2)
_cell_volume                     2003.2(3)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.533
_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               4062920
Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium
Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich; Organometallics 23 (2004) 3417–3424; doi:10.1021/om049767g

data_4062921
_publ_section_title
;
 Synthesis and Spectroscopic and Structural Investigations of the
 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals
 Sodium, Potassium, Rubidium, and Cesium
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3417
_journal_page_last               3424
_journal_paper_doi               10.1021/om049767g
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C14 H25 Na O Sb'
_chemical_formula_weight         708.16
_chemical_name_common            '(DME)sodium 2,3,4,5-tetraethylstibolide'
_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                 117.0210(1)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   26.0876(10)
_cell_length_b                   16.2526(10)
_cell_length_c                   17.3349(7)
_cell_measurement_temperature    293(2)
_cell_volume                     6547.5(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.437
_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      'C 2/c'
_cod_database_code               4062921
Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium
Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich; Organometallics 23 (2004) 3417–3424; doi:10.1021/om049767g

data_4062922
_publ_section_title
;
 Synthesis and Spectroscopic and Structural Investigations of the
 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals
 Sodium, Potassium, Rubidium, and Cesium
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3417
_journal_page_last               3424
_journal_paper_doi               10.1021/om049767g
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C32 H60 O4 Rb2 Sb2'
_chemical_formula_weight         923.24
_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                 91.246(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.0169(13)
_cell_length_b                   17.0819(17)
_cell_length_c                   16.6808(16)
_cell_measurement_temperature    193(2)
_cell_volume                     3993.0(7)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.536
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062922
Synthesis and Spectroscopic and Structural Investigations of the 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals Sodium, Potassium, Rubidium, and Cesium
Westerhausen, Matthias; Ossberger, Manfred W.; Mayer, Peter; Piotrowski, Holger; Nöth, Heinrich; Organometallics 23 (2004) 3417–3424; doi:10.1021/om049767g

data_4062923
_publ_section_title
;
 Synthesis and Spectroscopic and Structural Investigations of the
 2,3,4,5-Tetraethylarsolides and -stibolides of the Alkali Metals
 Sodium, Potassium, Rubidium, and Cesium
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3417
_journal_page_last               3424
_journal_paper_doi               10.1021/om049767g
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C32 H60 Cs2 O4 Sb2'
_chemical_formula_weight         1018.12
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.542(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.510(3)
_cell_length_b                   17.010(3)
_cell_length_c                   16.840(3)
_cell_measurement_temperature    193(2)
_cell_volume                     4152.2(12)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.629
_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      'C c'
_cod_database_code               4062923
Synthesis and Characterization of (Mono)pentamethylcyclopentadienyl Lutetium Complexes: Formation of Bipyridyl Stabilized Alkyls, Anilides, and a Terminal Acetylide
Thomas M. Cameron; John C. Gordon; Brian L. Scott; Organometallics  (2004) –; doi:10.1021/om0497700

data_4062924
_publ_section_title
;
Synthesis and Characterization of
(Mono)pentamethylcyclopentadienyl Lutetium
Complexes: Formation of Bipyridyl Stabilized
Alkyls, Anilides, and a Terminal Acetylide
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497700
_journal_year                    2004
_chemical_formula_sum            'C22 H45 Lu O Si2'
_chemical_formula_weight         556.73
_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                 112.973(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.531(4)
_cell_length_b                   10.112(2)
_cell_length_c                   15.750(3)
_cell_measurement_temperature    203
_cell_volume                     2717.2(9)
_diffrn_ambient_temperature      203
_exptl_crystal_density_diffrn    1.361
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062924
Synthesis and Characterization of (Mono)pentamethylcyclopentadienyl Lutetium Complexes: Formation of Bipyridyl Stabilized Alkyls, Anilides, and a Terminal Acetylide
Thomas M. Cameron; John C. Gordon; Brian L. Scott; Organometallics  (2004) –; doi:10.1021/om0497700

data_4062925
_publ_section_title
;
Synthesis and Characterization of
(Mono)pentamethylcyclopentadienyl Lutetium
Complexes: Formation of Bipyridyl Stabilized
Alkyls, Anilides, and a Terminal Acetylide
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497700
_journal_year                    2004
_chemical_formula_sum            'C22 H47 Lu O2 Si2'
_chemical_formula_weight         574.75
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   17.961(6)
_cell_length_b                   17.961(6)
_cell_length_c                   34.786(15)
_cell_measurement_temperature    203(2)
_cell_volume                     11222(7)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.361
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4062925
Synthesis and Characterization of (Mono)pentamethylcyclopentadienyl Lutetium Complexes: Formation of Bipyridyl Stabilized Alkyls, Anilides, and a Terminal Acetylide
Thomas M. Cameron; John C. Gordon; Brian L. Scott; Organometallics  (2004) –; doi:10.1021/om0497700

data_4062926
_publ_section_title
;
Synthesis and Characterization of
(Mono)pentamethylcyclopentadienyl Lutetium
Complexes: Formation of Bipyridyl Stabilized
Alkyls, Anilides, and a Terminal Acetylide
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497700
_journal_year                    2004
_chemical_formula_sum            'C40 H60 Lu N3 O Si'
_chemical_formula_weight         801.97
_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                 91.214(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.837(5)
_cell_length_b                   20.678(9)
_cell_length_c                   16.960(7)
_cell_measurement_temperature    203(2)
_cell_volume                     3800(3)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.402
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062926
Synthesis and Characterization of (Mono)pentamethylcyclopentadienyl Lutetium Complexes: Formation of Bipyridyl Stabilized Alkyls, Anilides, and a Terminal Acetylide
Thomas M. Cameron; John C. Gordon; Brian L. Scott; Organometallics  (2004) –; doi:10.1021/om0497700

data_4062927
_publ_section_title
;
Synthesis and Characterization of
(Mono)pentamethylcyclopentadienyl Lutetium
Complexes: Formation of Bipyridyl Stabilized
Alkyls, Anilides, and a Terminal Acetylide
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497700
_journal_year                    2004
_chemical_formula_sum            'C44 H59 Lu N4'
_chemical_formula_weight         818.92
_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                 109.127(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.058(5)
_cell_length_b                   10.368(2)
_cell_length_c                   18.363(4)
_cell_measurement_temperature    203(2)
_cell_volume                     3967.6(14)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.371
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062927
Synthesis and Characterization of (Mono)pentamethylcyclopentadienyl Lutetium Complexes: Formation of Bipyridyl Stabilized Alkyls, Anilides, and a Terminal Acetylide
Thomas M. Cameron; John C. Gordon; Brian L. Scott; Organometallics  (2004) –; doi:10.1021/om0497700

data_4062928
_publ_section_title
;
Synthesis and Characterization of
(Mono)pentamethylcyclopentadienyl Lutetium
Complexes: Formation of Bipyridyl Stabilized
Alkyls, Anilides, and a Terminal Acetylide
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497700
_journal_year                    2004
_chemical_formula_sum            'C84 H78 Lu2 N4'
_chemical_formula_weight         1493.44
_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                86.74(2)
_cell_angle_beta                 77.70(2)
_cell_angle_gamma                77.47(2)
_cell_formula_units_Z            1
_cell_length_a                   10.802(5)
_cell_length_b                   12.607(5)
_cell_length_c                   13.302(5)
_cell_measurement_temperature    203(2)
_cell_volume                     1727.6(12)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.435
_cod_database_code               4062928
Synthesis and Characterization of (Mono)pentamethylcyclopentadienyl Lutetium Complexes: Formation of Bipyridyl Stabilized Alkyls, Anilides, and a Terminal Acetylide
Thomas M. Cameron; John C. Gordon; Brian L. Scott; Organometallics  (2004) –; doi:10.1021/om0497700

data_4062929
_publ_section_title
;
Synthesis and Characterization of
(Mono)pentamethylcyclopentadienyl Lutetium
Complexes: Formation of Bipyridyl Stabilized
Alkyls, Anilides, and a Terminal Acetylide
;
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om0497700
_journal_year                    2004
_chemical_formula_sum            'C45 H41 Lu N3 O'
_chemical_formula_weight         814.78
_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                96.360(4)
_cell_angle_beta                 101.884(4)
_cell_angle_gamma                98.837(5)
_cell_formula_units_Z            2
_cell_length_a                   9.485(2)
_cell_length_b                   11.204(2)
_cell_length_c                   22.304(5)
_cell_measurement_temperature    203(2)
_cell_volume                     2266.9(9)
_diffrn_ambient_temperature      203(2)
_exptl_crystal_density_diffrn    1.194
_cod_database_code               4062929
; Organometallics  (2004) –; doi:10.1021/om049771s

data_4062930
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049771s
_journal_year                    2004
_chemical_formula_sum            'C48 H90 B20 Cl2 Na2 O7 Zr'
_chemical_formula_weight         1203.50
_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                 101.953(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.9343(12)
_cell_length_b                   24.1026(19)
_cell_length_c                   17.6490(13)
_cell_measurement_temperature    293(2)
_cell_volume                     6631.3(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.205
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062930