Crystallography Open Database

Information card for entry 1570947

Preview

Coordinates	1570947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H36 B6 Os2
Calculated formula	C20 H36 B6 Os2
SMILES	[Os]123456789([Os]%10%11%12%13%14%15%16%17([c]%18([c]%13([c]%12([c]%11([c]%10%18C)C)C)C)C)[BH]%106([BH]65[BH]%14%10[BH]8%166[BH]7%15)[BH]9%17)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
Title of publication	Rule breaker boron clusters: a new class of hypoelectronic osmaborane clusters [(Cp*Os)<sub>2</sub>B<sub><i>n</i></sub>H<sub><i>n</i></sub>] (<i>n</i> = 6-10).
Authors of publication	Kar, Ketaki; Kar, Sourav; Ghosh, Sundargopal
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	11
Pages of publication	4179 - 4186
a	8.5352 ± 0.0002 Å
b	14.7848 ± 0.0004 Å
c	20.0361 ± 0.0006 Å
α	90°
β	101.894 ± 0.001°
γ	90°
Cell volume	2474.1 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
290849 (current)	2024-04-05	cif/ Updating files of 1570947, 1570948, 1570949, 1570950, 1570951 Original log message: Adding full bibliography for 1570947--1570951.cif.	1570947.cif
289740	2024-02-08	cif/ Adding structures of 1570947, 1570948, 1570949, 1570950, 1570951 via cif-deposit CGI script.	1570947.cif