LMucko/crystallography-open-database huggingface dataset:
Crystal structure of dipiperazine decafluorooxodititanate dihydrate, (C~4~H~12~N~2~)~2~[Ti~2~F~10~O] · 2H~2~O
Dadachov, M.S.; Tang, L.Q.; Zou, X.D.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 141–142; doi:

data_8100870
_publ_section_title
;
Crystal structure of dipiperazine decafluorooxodititanate dihydrate, 
(C~4~H~12~N~2~)~2~[Ti~2~F~10~O] &#x00B7; 2H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              141
_journal_page_last               142
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '(C4 H12 N2)2 [Ti2 F10 O] . 2H2 O'
_chemical_formula_sum            'C8 H28 F10 N4 O3 Ti2'
_chemical_formula_weight         514.14
_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                90.000(5)
_cell_angle_beta                 91.852(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   10.623(5)
_cell_length_b                   13.717(5)
_cell_length_c                   13.110(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1909.3(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.789
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8100870
Crystal structure of 2-{3-[2-(3-ethoxy-4-methoxy-phenyl)-vinyl]-5, 5-dimethyl-cyclohex-2-enylidene}-malononitrile, C~22~H~24~N~2~O~2~
Kolev, Tsonko; Yancheva, Denitsa; Kleb, D.-Chr.; Schürmann, Markus; Glavcheva, Zornitza; Preut, Hans; Bleckmann, Paul; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 67–68; doi:

data_8100871
_publ_section_title
;
Crystal structure of 2-{3-[2-(3-ethoxy-4-methoxy-phenyl)-vinyl]-5,
5-dimethyl-cyclohex-2-enylidene}-malononitrile, C~22~H~24~N~2~O~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              67
_journal_page_last               68
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C22 H24 N2 O2'
_chemical_formula_weight         348.43
_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                 93.62(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.5590(10)
_cell_length_b                   19.943(2)
_cell_length_c                   12.990(2)
_cell_measurement_temperature    291(1)
_cell_volume                     1954.3(4)
_diffrn_ambient_temperature      291(1)
_exptl_crystal_density_diffrn    1.184
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100871
Crystal structure of catena-poly[(dimethyl(2-hydroxyethyl)ammonium)- {sodium-μ-[aquatris(dimethyl(2-hydroxyethyl)ammonium)-sodiumheptamolybdato (VI)-O',O'',O''':O'''',O''''',O'''''']}diwater], {(C~4~H~12~NO)[(C~4~H~12~NO) ~3~(H~2~O)Na~2~Mo~7~O~24~] · 2H~2~O}~n~
Klinga, Martti; Turpeinen, Urho; Hämäläinen, Reijo; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 132–134; doi:

data_8100872
_publ_section_title
;
Crystal structure of catena-poly[(dimethyl(2-hydroxyethyl)ammonium)-
{sodium-\m-[aquatris(dimethyl(2-hydroxyethyl)ammonium)-sodiumheptamolybdato
(VI)-O',O'',O''':O'''',O''''',O'''''']}diwater], {(C~4~H~12~NO)[(C~4~H~12~NO)
~3~(H~2~O)Na~2~Mo~7~O~24~] &#x00B7; 2H~2~O}~n~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              132
_journal_page_last               134
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C16 H54 Mo7 N4 Na2 O31'
_chemical_formula_weight         1516.19
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.857(3)
_cell_length_b                   16.266(3)
_cell_length_c                   17.769(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4294.1(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    2.345
_cod_database_code               8100872
Crystal structure of bis[bis(diethylether)lithium (trimethylsilyl)- methyl-cyanocuprate], [(C~4~H~10~O)~2~Li(C~3~H~9~)SiCH~2~CuCN]~2~
Bosold, Ferdinand; Marsch, Michael; Harms, Klaus; Boche, Gernot; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 143–144; doi:

data_8100873
_publ_section_title
;
Crystal structure of bis[bis(diethylether)lithium (trimethylsilyl)-
methyl-cyanocuprate], [(C~4~H~10~O)~2~Li(C~3~H~9~)SiCH~2~CuCN]~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              143
_journal_page_last               144
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '(C13 H31 Cu Li N O2 Si)2'
_chemical_formula_sum            'C26 H62 Cu2 Li2 N2 O4 Si2'
_chemical_formula_weight         663.92
_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                 106.091(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.0080(8)
_cell_length_b                   11.1636(6)
_cell_length_c                   18.0294(15)
_cell_measurement_temperature    193(2)
_cell_volume                     1935.4(2)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.139
_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               8100873
Crystal structure of trans-dinitrito(3,10-C-meso-3,5,7,7,10,12,14, 14-octamethyl-1,4,8,11-tetraazacyclotetradecane)cobalt(III) perchlorate, [Co(Me~8~[14]ane)(NO~2~)~2~]ClO~4~
Horn, E.; Roy, T. G.; Hazari, S. K. S.; Dey, B. K.; Dey, L.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 71–72; doi:

data_8100874
_publ_section_title
;
Crystal structure of trans-dinitrito(3,10-C-meso-3,5,7,7,10,12,14,
14-octamethyl-1,4,8,11-tetraazacyclotetradecane)cobalt(III) perchlorate, 
[Co(Me~8~[14]ane)(NO~2~)~2~]ClO~4~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              71
_journal_page_last               72
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     '[Co(Me8 [14]ane)(NO2 )2]ClO4'
_chemical_formula_sum            'C18 H40 Cl2 Co N6 O12'
_chemical_formula_weight         662.39
_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                107.88(9)
_cell_angle_beta                 100.59(9)
_cell_angle_gamma                105.98(6)
_cell_formula_units_Z            4
_cell_length_a                   8.838(6)
_cell_length_b                   10.768(8)
_cell_length_c                   7.933(9)
_cell_measurement_temperature    293
_cell_volume                     660(1)
_diffrn_ambient_temperature      293
_diffrn_orient_matrix_UB_11      0.11861
_diffrn_orient_matrix_UB_12      0.01193
_diffrn_orient_matrix_UB_13      0.04350
_diffrn_orient_matrix_UB_21      0.03158
_diffrn_orient_matrix_UB_22      0.10299
_diffrn_orient_matrix_UB_23      0.03344
_diffrn_orient_matrix_UB_31      -0.00955
_diffrn_orient_matrix_UB_32      0.01184
_diffrn_orient_matrix_UB_33      0.12721
_exptl_crystal_density_diffrn    1.665
_cod_database_code               8100874
Crystal structure of 1,3-bis(diphenylphosphino)-propane rhodium(I)- norborna-2,5-diene tetrafluoroborate, C~34~H~34~BF~4~P~2~Rh, and of 1,3-bis(diphenylphosphino)-propane rhodium(I)-(Z,Z)-cycloocta-1,5- diene tetrafluoroborate, C~35~H~38~BF~4~P~2~Rh
Kempe, Rhett; Spannenberg, Anke; Heller, Detlef; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 153–156; doi:

data_8100875
_publ_section_title
;
Crystal structure of 1,3-bis(diphenylphosphino)-propane rhodium(I)-
norborna-2,5-diene tetrafluoroborate, C~34~H~34~BF~4~P~2~Rh, and of 
1,3-bis(diphenylphosphino)-propane rhodium(I)-(Z,Z)-cycloocta-1,5-
diene tetrafluoroborate, C~35~H~38~BF~4~P~2~Rh
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              153
_journal_page_last               156
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C34 H34 B F4 P2 Rh'
_chemical_formula_sum            'C34 H34 B F4 P2 Rh'
_chemical_formula_weight         694.27
_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                 114.29(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.193(3)
_cell_length_b                   12.835(3)
_cell_length_c                   17.096(3)
_cell_measurement_temperature    200(2)
_cell_volume                     3038.6(11)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.518
_refine_ls_R_factor_obs          0.0329
_refine_ls_wR_factor_obs         0.0537
_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               8100875
Crystal structure of 1,3-bis(diphenylphosphino)-propane rhodium(I)- norborna-2,5-diene tetrafluoroborate, C~34~H~34~BF~4~P~2~Rh, and of 1,3-bis(diphenylphosphino)-propane rhodium(I)-(Z,Z)-cycloocta-1,5- diene tetrafluoroborate, C~35~H~38~BF~4~P~2~Rh
Kempe, Rhett; Spannenberg, Anke; Heller, Detlef; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 153–156; doi:

data_8100876
_publ_section_title
;
Crystal structure of 1,3-bis(diphenylphosphino)-propane rhodium(I)-
norborna-2,5-diene tetrafluoroborate, C~34~H~34~BF~4~P~2~Rh, and of 
1,3-bis(diphenylphosphino)-propane rhodium(I)-(Z,Z)-cycloocta-1,5-
diene tetrafluoroborate, C~35~H~38~BF~4~P~2~Rh
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              153
_journal_page_last               156
_journal_volume                  216
_journal_year                    2001
_chemical_formula_structural     'C35 H38 B F4 P2 Rh'
_chemical_formula_sum            'C35 H38 B F4 P2 Rh'
_chemical_formula_weight         710.31
_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                 99.76(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.343(2)
_cell_length_b                   15.150(2)
_cell_length_c                   20.432(3)
_cell_measurement_temperature    200(2)
_cell_volume                     3155.3(9)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.495
_refine_ls_R_factor_obs          0.0349
_refine_ls_wR_factor_obs         0.0577
_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               8100876
Crystal structure of 1,2-bis(diphenylphosphinoxy)-ethane rhodium(I)- norborna-2,5-diene tetrafluoroborate, C~33~H~32~BF~4~O~2~P~2~Rh, and of 1,2-bis(diphenylphosphinoxy)-ethane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~34~H~36~BF~4~O~2~P~2~Rh · C~4~H~8~O · 1/4CH~2~Cl~2~
Kempe, Rhett; Spannenberg, Anke; Heller, Detlef; Kadyrov, Renat; Fehring, Volker; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 157–160; doi:

data_8100877
_publ_section_title
;
Crystal structure of 1,2-bis(diphenylphosphinoxy)-ethane rhodium(I)-
norborna-2,5-diene tetrafluoroborate, C~33~H~32~BF~4~O~2~P~2~Rh, and 
of 1,2-bis(diphenylphosphinoxy)-ethane rhodium(I)-(Z,Z)-cycloocta-
1,5-diene tetrafluoroborate, C~34~H~36~BF~4~O~2~P~2~Rh &#x00B7; C~4~H~8~O 
&#x00B7; 1/4CH~2~Cl~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              157
_journal_page_last               160
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C33 H32 B F4 O2 P2 Rh'
_chemical_formula_weight         712.25
_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                74.88(2)
_cell_angle_beta                 82.13(2)
_cell_angle_gamma                83.63(2)
_cell_formula_units_Z            2
_cell_length_a                   9.342(2)
_cell_length_b                   10.279(3)
_cell_length_c                   16.964(3)
_cell_measurement_temperature    200(2)
_cell_volume                     1553.0(6)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.523
_refine_ls_R_factor_obs          0.0421
_refine_ls_wR_factor_obs         0.0951
_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               8100877
Crystal structure of 1,2-bis(diphenylphosphinoxy)-ethane rhodium(I)- norborna-2,5-diene tetrafluoroborate, C~33~H~32~BF~4~O~2~P~2~Rh, and of 1,2-bis(diphenylphosphinoxy)-ethane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~34~H~36~BF~4~O~2~P~2~Rh · C~4~H~8~O · 1/4CH~2~Cl~2~
Kempe, Rhett; Spannenberg, Anke; Heller, Detlef; Kadyrov, Renat; Fehring, Volker; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 157–160; doi:

data_8100878
_publ_section_title
;
Crystal structure of 1,2-bis(diphenylphosphinoxy)-ethane rhodium(I)-
norborna-2,5-diene tetrafluoroborate, C~33~H~32~BF~4~O~2~P~2~Rh, and 
of 1,2-bis(diphenylphosphinoxy)-ethane rhodium(I)-(Z,Z)-cycloocta-
1,5-diene tetrafluoroborate, C~34~H~36~BF~4~O~2~P~2~Rh &#x00B7; C~4~H~8~O 
&#x00B7; 1/4CH~2~Cl~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              157
_journal_page_last               160
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C38.25 H44.5 B Cl0.5 F4 O3 P2 Rh'
_chemical_formula_weight         821.62
_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                 92.31(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.629(2)
_cell_length_b                   24.925(5)
_cell_length_c                   16.639(3)
_cell_measurement_temperature    200(2)
_cell_volume                     3990.2(14)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.368
_refine_ls_R_factor_obs          0.0603
_refine_ls_wR_factor_obs         0.1695
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C38.25 H44.50 B Cl0.50 F4 O3 P2 Rh'
_cod_database_code               8100878
Crystal structure of 1,4-bis(dicyclohexylphosphino)-butane rhodium (I)-norborna-2,5-diene tetrafluoroborate, C~35~H~60~BF~4~P~2~Rh, and of 1,4-bis(dicyclohexylphosphino)-butane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~36~H~64~BF~4~P~2~Rh
Kempe, Rhett; Spannenberg, Anke; Heller, Detlef; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 161–164; doi:

data_8100879
_publ_section_title
;
Crystal structure of 1,4-bis(dicyclohexylphosphino)-butane rhodium
(I)-norborna-2,5-diene tetrafluoroborate, C~35~H~60~BF~4~P~2~Rh, and 
of 1,4-bis(dicyclohexylphosphino)-butane rhodium(I)-(Z,Z)-cycloocta-
1,5-diene tetrafluoroborate, C~36~H~64~BF~4~P~2~Rh
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              161
_journal_page_last               164
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C35 H60 B F4 P2 Rh'
_chemical_formula_weight         732.49
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.225(4)
_cell_length_b                   10.487(2)
_cell_length_c                   17.636(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3555.6(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.368
_refine_ls_R_factor_obs          0.0540
_refine_ls_wR_factor_obs         0.0987
_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_database_code               8100879
Crystal structure of 1,4-bis(dicyclohexylphosphino)-butane rhodium (I)-norborna-2,5-diene tetrafluoroborate, C~35~H~60~BF~4~P~2~Rh, and of 1,4-bis(dicyclohexylphosphino)-butane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~36~H~64~BF~4~P~2~Rh
Kempe, Rhett; Spannenberg, Anke; Heller, Detlef; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 161–164; doi:

data_8100880
_publ_section_title
;
Crystal structure of 1,4-bis(dicyclohexylphosphino)-butane rhodium
(I)-norborna-2,5-diene tetrafluoroborate, C~35~H~60~BF~4~P~2~Rh, and 
of 1,4-bis(dicyclohexylphosphino)-butane rhodium(I)-(Z,Z)-cycloocta-
1,5-diene tetrafluoroborate, C~36~H~64~BF~4~P~2~Rh
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              161
_journal_page_last               164
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C36 H64 B F4 P2 Rh'
_chemical_formula_weight         748.53
_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                 115.86(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.737(4)
_cell_length_b                   10.058(2)
_cell_length_c                   20.706(4)
_cell_measurement_temperature    200(2)
_cell_volume                     3698.8(13)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.344
_refine_ls_R_factor_obs          0.0440
_refine_ls_wR_factor_obs         0.1124
_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               8100880
Crystal structure of 1,2-bis(dicyclohexylphosphino)-ethane rhodium (I)-norborna-2,5-diene tetrafluoroborate, C~33~H~56~BF~4~P~2~Rh and of 1,2-bis(dicyclohexylphosphino)-ethane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~34~H~60~BF~4~P~2~Rh · 1/2CH~3~OH
Kempe, Rhett; Spannenberg, Anke; Drexler, Hans-Joachim; Heller, Detlef; Zeitschrift für Kristallographie - New Crystal Structures 216 (2001) 165–168; doi:

data_8100881
_publ_section_title
;
Crystal structure of 1,2-bis(dicyclohexylphosphino)-ethane rhodium
(I)-norborna-2,5-diene tetrafluoroborate, C~33~H~56~BF~4~P~2~Rh and 
of 1,2-bis(dicyclohexylphosphino)-ethane rhodium(I)-(Z,Z)-cycloocta-
1,5-diene tetrafluoroborate, C~34~H~60~BF~4~P~2~Rh &#x00B7; 1/2CH~3~OH
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              165
_journal_page_last               168
_journal_volume                  216
_journal_year                    2001
_chemical_formula_sum            'C33 H56 B F4 P2 Rh'
_chemical_formula_weight         704.44
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.829(4)
_cell_length_b                   10.142(2)
_cell_length_c                   17.411(3)
_cell_measurement_temperature    200(2)
_cell_volume                     3324.9(11)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.407
_refine_ls_R_factor_obs          0.0330
_refine_ls_wR_factor_obs         0.0836
_cod_database_code               8100881