Crystallography Open Database

Information card for entry 4114780

Preview

Coordinates	4114780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H41 B Cl2 F24 P Rh
Calculated formula	C49 H41 B Cl4 F39 P Rh
Title of publication	Synthesis and Investigation of [Cp*(PMe3)Rh(H)(H2)]+ and Its Partially Deuterated and Tritiated Isotopomers: Evidence for a Hydride/Dihydrogen Structure
Authors of publication	Felicia L. Taw; Heather Mellows; Peter S. White; Frederick J. Hollander; Robert G. Bergman; Maurice Brookhart; D. Michael Heinekey
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	5100 - 5108
a	12.1814 ± 0.0002 Å
b	19.197 ± 0.0004 Å
c	24.7379 ± 0.0005 Å
α	90°
β	100.841 ± 0.001°
γ	90°
Cell volume	5681.62 ± 0.19 Å³
Cell temperature	159.2 K
Ambient diffraction temperature	159.2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for all reflections	0
Weighted residual factors for significantly intense reflections	0.0464
Goodness-of-fit parameter for all reflections included in the refinement	1.622
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4114780.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114780.cif
68143	2012-10-19	cif/ Adding structures of 4114780 via cif-deposit CGI script.	4114780.cif