Crystallography Open Database

Information card for entry 7116299

Preview

Coordinates	7116299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H54 B F24 P Ru
Calculated formula	C67 H54 B F24 P Ru
Title of publication	Remote rearrangement of the metal center in a (η(6)-C6Me6)Ru(ii) complex.
Authors of publication	Takano, Koichi; Ikeda, Yousuke; Kodama, Shintaro; Ishii, Youichi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	24
Pages of publication	4981 - 4984
a	12.6963 ± 0.0019 Å
b	12.933 ± 0.002 Å
c	19.631 ± 0.003 Å
α	85.538 ± 0.005°
β	79.98 ± 0.005°
γ	85.472 ± 0.006°
Cell volume	3157.6 ± 0.8 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.057
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180276 (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 7/11/62.	7116299.cif
134891	2015-04-06	cif/ Updating files of 7116299, 7116300 Original log message: Adding full bibliography for 7116299--7116300.cif.	7116299.cif
129376	2015-01-06	cif/ Adding structures of 7116299, 7116300 via cif-deposit CGI script.	7116299.cif