Crystallography Open Database

Information card for entry 2300733

Preview

Coordinates	2300733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 Os P2
Calculated formula	C24 H44 Os P2
SMILES	[OsH6]([P](C(C)C)(c1ccccc1)C(C)C)[P](c1ccccc1)(C(C)C)C(C)C
Title of publication	Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in <i>Olex2</i>.
Authors of publication	Kleemiss, Florian; Peyerimhoff, Norbert; Bodensteiner, Michael
Journal of publication	Journal of applied crystallography
Year of publication	2024
Journal volume	57
Journal issue	Pt 1
Pages of publication	161 - 174
a	10.8918 ± 0.0001 Å
b	13.7619 ± 0.0001 Å
c	17.0714 ± 0.0002 Å
α	90°
β	98.563 ± 0.001°
γ	90°
Cell volume	2530.34 ± 0.04 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0352
Weighted residual factors for all reflections included in the refinement	0.0371
Goodness-of-fit parameter for all reflections included in the refinement	1.0338
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
290340 (current)	2024-03-05	cif/ Updating files of 2300730, 2300731, 2300732, 2300733 Original log message: Adding full bibliography for 2300730--2300733.cif.	2300733.cif
289677	2024-02-05	cif/ Adding structures of 2300733 via cif-deposit CGI script.	2300733.cif