Crystallography Open Database

Information card for entry 8100881

Preview

Coordinates	8100881.cif
External links	PubChem

Structure parameters

Formula	C33 H56 B F4 P2 Rh
Calculated formula	C33 H56 B F4 P2 Rh
SMILES	[Rh]1234([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)[CH]1=[CH]2C2[CH]3=[CH]4C1C2.[B](F)(F)(F)[F-]
Title of publication	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
Authors of publication	Kempe, Rhett; Spannenberg, Anke; Drexler, Hans-Joachim; Heller, Detlef
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2001
Journal volume	216
Journal issue	1
Pages of publication	165 - 168
a	18.829 ± 0.004 Å
b	10.142 ± 0.002 Å
c	17.411 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3324.9 ± 1.1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0836
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8100881.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	8100881.cif
103177	2014-02-26	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100881.cif
100679	2014-02-06	cif/8/ (antanas@lokys.ibt.lt) Adding paper volume.	8100881.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100881.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	8100881.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	8100881.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100881.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	8100881.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	8100881.cif