Crystallography Open Database

Information card for entry 4345152

Preview

Coordinates	4345152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H77 B20 N4 P4 S4
Calculated formula	C44 H77 B20 N4 P4 S4
Title of publication	C2-Symmetric P,N Ligands Derived from Carborane-Based Diphosphetanes: Synthesis and Coordination Chemistry.
Authors of publication	Coburger, Peter; Schulz, Jan; Klose, Jennifer; Schwarze, Benedikt; Sárosi, Menyhárt B; Hey-Hawkins, Evamarie
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	1
Pages of publication	292 - 304
a	19.0046 ± 0.0005 Å
b	15.8477 ± 0.0004 Å
c	20.1583 ± 0.0004 Å
α	90°
β	90.438 ± 0.002°
γ	90°
Cell volume	6071.1 ± 0.3 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 K
Number of distinct elements	6
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	0.1096
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1551
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
191273 (current)	2017-02-04	cif/ Adding structures of 4345150, 4345151, 4345152, 4345153, 4345154, 4345155, 4345156, 4345157 via cif-deposit CGI script.	4345152.cif