Crystallography Open Database

Information card for entry 7711382

Preview

Coordinates	7711382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H49 B N2 Ru
Calculated formula	C30 H49 B N2 Ru
SMILES	[BH]1(c2c(cc(cc2C)C)C)[H][Ru]2345(=C6N(C(=C(C)N6C(C)C)C)C(C)C)([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)[H]1
Title of publication	Ruthenium tris(σ-B-H) borate complexes: synthesis, structure, and reactivity
Authors of publication	Wei, Yongliang; Yang, Xiaowen; Tian, Minghui; Wang, Xue; Wang, Tongdao
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.782 ± 0.004 Å
b	12.152 ± 0.004 Å
c	12.316 ± 0.004 Å
α	112.688 ± 0.008°
β	97.811 ± 0.008°
γ	90.37 ± 0.009°
Cell volume	1471.9 ± 0.9 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0566
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
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
278292 (current)	2022-10-01	cif/ Adding structures of 7711379, 7711380, 7711381, 7711382, 7711383, 7711384 via cif-deposit CGI script.	7711382.cif