Crystallography Open Database

Information card for entry 8102179

Preview

Coordinates	8102179.cif

Structure parameters

Chemical name	1-(2-(dicyclohexylphosphinophenyl)pyrol-2-dicyclohexylphosphino-rhodium(I) norborna-2,5-diene tetrafluoroborate tetrahydrofuran hemisolvate
Formula	C43 H63 B F4 N O0.5 P2 Rh
Calculated formula	C43 H63 B F4 N O0.5 P2 Rh
Title of publication	Crystal structures of 1-(2-(dicyclohexylphosphinophenyl)-pyrol-2- dicyclohexylphosphino-rhodium(I) norborna-2,5-diene tetrafluoroborate tetrahydrofuran hemisolvate, [Rh(C~34~H~51~NP~2~)(C~7~H~8~)][BF~4~] · 0.5C~4~H~8~O, and 1-(2-(dicyclohexylphosphinophenyl)-pyrol-2-dicyclohexyl- phosphino-rhodium(I) (Z,Z)-cycloocta-1,5-diene tetrafluoroborate, [Rh(C~34~H~51~NP~2~)(C~8~H~12~)][BF~4~]
Authors of publication	Jackstell, Ralf; Dai, Zhenya; Schmidt, Thomas; Heller, Detlef; Drexler, Hans-Joachim
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2007
Journal volume	222
Journal issue	4
Pages of publication	458 - 462
a	10.341 ± 0.002 Å
b	16.063 ± 0.003 Å
c	27.425 ± 0.005 Å
α	90°
β	98.76 ± 0.03°
γ	90°
Cell volume	4502.4 ± 1.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1007
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1336
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	0.886
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
187550 (current)	2016-10-25	cif/8/10 Marking attached hydrogen atoms.	8102179.cif
176466	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102179.cif
108390	2014-03-31	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102179.cif
108108	2014-03-27	cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other.	8102179.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102179.cif
12918	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102179 via cif-deposit CGI script.	8102179.cif