Crystallography Open Database

Information card for entry 4348228

Preview

Coordinates	4348228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H70 Bi Cl4 P3
Calculated formula	C56 H70 Bi Cl4 P3
SMILES	[Bi](c1ccc2c3c(ccc(P(C(C)C)C(C)C)c13)CC2)(c1ccc2c3c(ccc(P(C(C)C)C(C)C)c13)CC2)c1ccc2c3c(ccc(P(C(C)C)C(C)C)c13)CC2.ClCCl.ClCCl
Title of publication	Geminally Substituted Tris(acenaphthyl) and Bis(acenaphthyl) Arsines, Stibines, and Bismuthine: A Structural and Nuclear Magnetic Resonance Investigation.
Authors of publication	Chalmers, Brian A.; Meigh, Christina B. E.; Nejman, Phillip S.; Bühl, Michael; Lébl, Tomáš; Woollins, J. Derek; Slawin, Alexandra M. Z.; Kilian, Petr
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	14
Pages of publication	7117 - 7125
a	15.329 ± 0.004 Å
b	15.625 ± 0.003 Å
c	23.821 ± 0.004 Å
α	108.051 ± 0.013°
β	99.74 ± 0.02°
γ	94.797 ± 0.018°
Cell volume	5290 ± 2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.1381
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.1833
Weighted residual factors for all reflections included in the refinement	0.2149
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232836 (current)	2019-11-23	cif/ Adding structures of 4348226, 4348227, 4348228, 4348229, 4348230 via cif-deposit CGI script.	4348228.cif