Crystallography Open Database

Information card for entry 7111275

Preview

Coordinates	7111275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H47 P Ru Si
Calculated formula	C31 H47 P Ru Si
SMILES	[Ru]12345678(P9[C]4([Si](C(C)C)(C(C)C)C(C)C)=[C]3([C]2(=[C]19c1ccccc1)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
Title of publication	Synthesis of 2-silyl substituted phospharuthenocenes and an elaboration into the first phospharuthenocene-phosphine
Authors of publication	Carmichael, Duncan; Mathey, François; Ricard, Louis; Seeboth, Nicolas
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	24
Pages of publication	2976 - 2977
a	8.939 ± 0.001 Å
b	42.464 ± 0.001 Å
c	8.166 ± 0.001 Å
α	90°
β	110.07 ± 0.001°
γ	90°
Cell volume	2911.5 ± 0.5 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
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	0.0421
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180226 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/12.	7111275.cif
132198	2015-02-21	cif/7/11/ (antanas@koala.ibt.lt) Updating bibliography for CIF 7111274, 7111275.	7111275.cif
96395	2014-01-29	cif/ Adding structures of 7111274, 7111275 via cif-deposit CGI script.	7111275.cif