Crystallography Open Database

Information card for entry 7243153

Preview

Coordinates	7243153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H54 F6 Fe N O8 P0.484 Sb0.516
Calculated formula	C43 H54 F6 Fe N O8 P0.48436 Sb0.51564
Title of publication	Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether
Authors of publication	Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	34
Pages of publication	5944 - 5952
a	10.139 ± 0.0018 Å
b	11.679 ± 0.002 Å
c	17.971 ± 0.003 Å
α	85.655 ± 0.004°
β	87.434 ± 0.004°
γ	88.542 ± 0.005°
Cell volume	2119.2 ± 0.6 Å³
Cell temperature	113.35 K
Ambient diffraction temperature	113.35 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0645
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.0287
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268679 (current)	2021-09-06	cif/ Updating files of 7243143, 7243144, 7243145, 7243146, 7243147, 7243148, 7243149, 7243150, 7243151, 7243152, 7243153 Original log message: Adding full bibliography for 7243143--7243153.cif.	7243153.cif
267314	2021-07-07	cif/ Adding structures of 7243143, 7243144, 7243145, 7243146, 7243147, 7243148, 7243149, 7243150, 7243151, 7243152, 7243153 via cif-deposit CGI script.	7243153.cif