Crystallography Open Database

Information card for entry 7128095

Preview

Coordinates	7128095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H53 B F24 N6 Ru Si3
Calculated formula	C56 H53 B F24 N6 Ru Si3
Title of publication	Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.
Authors of publication	Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	30
Pages of publication	3652 - 3655
a	13.9065 ± 0.0003 Å
b	12.1742 ± 0.0003 Å
c	18.3076 ± 0.0004 Å
α	90°
β	94.385 ± 0.002°
γ	90°
Cell volume	3090.41 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.0579
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
264873 (current)	2021-05-05	cif/ Updating files of 7128081, 7128082, 7128083, 7128084, 7128085, 7128086, 7128087, 7128088, 7128089, 7128090, 7128091, 7128092, 7128093, 7128094, 7128095 Original log message: Adding full bibliography for 7128081--7128095.cif.	7128095.cif
263378	2021-03-27	cif/ Adding structures of 7128081, 7128082, 7128083, 7128084, 7128085, 7128086, 7128087, 7128088, 7128089, 7128090, 7128091, 7128092, 7128093, 7128094, 7128095 via cif-deposit CGI script.	7128095.cif