Crystallography Open Database

Information card for entry 4071956

4071955 << 4071956 >> 4071957

Preview

Coordinates	4071956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H56 B2 F8 N2 Rh2
Calculated formula	C60 H56 B2 F8 N2 Rh2
SMILES	[B](F)(F)(F)[F-].c1(c2ccccc2ccc1N([c]12[cH]3[cH]4[cH]5[cH]6[cH]1[Rh]17823456[CH]2=[CH]8CC[CH]1=[CH]7CC2)c1ccccc1)c1c2ccccc2ccc1N([c]12[cH]3[cH]4[cH]5[cH]6[cH]1[Rh]17823456[CH]2=[CH]1CC[CH]7=[CH]8CC2)c1ccccc1.[B](F)(F)(F)[F-]
Title of publication	Synthesis of Optically ActiveN,N,N′,N′-Tetraphenyl-1,1′-binaphthyl-2,2′-diamine Derivatives as Analogues of BINAP
Authors of publication	Matsuzawa, Hiroshi; Tanabe, Yoshiaki; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	4021
a	13.8106 ± 0.0004 Å
b	13.8106 ± 0.0004 Å
c	26.083 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4974.9 ± 0.3 Å³
Cell temperature	173.1 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071956.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071956.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071956.cif
44145	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071954, 4071955, 4071956 via cif-deposit CGI script.	4071956.cif