Crystallography Open Database

Information card for entry 4122890

Preview

Coordinates	4122890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 N O3 P Ru2
Calculated formula	C30 H35 N O3 P Ru2
Title of publication	A Diruthenium μ-Carbido Complex That Shows Singlet-Carbene-Like Reactivity.
Authors of publication	Takemoto, Shin; Ohata, Jun; Umetani, Kento; Yamaguchi, Masahiro; Matsuzaka, Hiroyuki
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Pages of publication	141104122937002
a	16.264 ± 0.006 Å
b	15.01 ± 0.004 Å
c	25.756 ± 0.006 Å
α	90°
β	103.844 ± 0.013°
γ	90°
Cell volume	6105 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179030 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/28.	4122890.cif
126256	2014-11-05	cif/ Adding structures of 4122887, 4122888, 4122889, 4122890 via cif-deposit CGI script.	4122890.cif