Crystallography Open Database

Information card for entry 7224670

Preview

Coordinates	7224670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28 N8 O16 Ru4
Calculated formula	C40 H28 N8 O16 Ru4
SMILES	C1(=O)c2[n]([Ru]34(C#[O])([O]1[Ru]15(C#[O])(C#[O])[n]6c(C(=O)[O]1[Ru]14(C#[O])(C#[O])[n]4c(C(=O)[O]1[Ru]15(C#[O])(C#[O])[n]5c(C(=O)[O]31)cccc5)cccc4)cccc6)C#[O])cccc2.CC#N.CC#N.CC#N.CC#N
Title of publication	Formation of A Robust Ru4O4 Skeleton with Two Ru2(CO)4 Units in Criss-Cross Configuration
Authors of publication	Yang, Jindou; Wang, Xian; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei
Journal of publication	RSC Adv.
Year of publication	2016
a	15.341 ± 0.004 Å
b	15.341 ± 0.004 Å
c	9.98 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2348.8 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178867 (current)	2016-03-22	cif/ Adding structures of 7224667, 7224668, 7224669, 7224670, 7224671 via cif-deposit CGI script.	7224670.cif