Crystallography Open Database

Information card for entry 7711379

Preview

Coordinates	7711379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H62 B P Ru
Calculated formula	C37 H62 B P Ru
SMILES	[BH]1(c2c(cc(cc2C)C)C)[H][Ru]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)([H]1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
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	10.0172 ± 0.0002 Å
b	12.1842 ± 0.0002 Å
c	16.9434 ± 0.0003 Å
α	65.716 ± 0.001°
β	81.031 ± 0.001°
γ	64.759 ± 0.001°
Cell volume	1704.54 ± 0.06 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.027
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	7711379.cif