Test Crystallography Open Database

Information card for entry 7700028

Preview

Coordinates	7700028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H72 B4 Fe4 O8
Calculated formula	C72 H72 B4 Fe4 O8
Title of publication	Control of the reversibility during boronic ester formation: application to the construction of ferrocene dimers and trimers
Authors of publication	Ono, Kosuke; Tohyama, Yohei; Uchikura, Tatsuhiro; Kikuchi, Yuji; Fujii, Kotaro; Uekusa, Hidehiro; Iwasawa, Nobuharu
Journal of publication	Dalton Transactions
Year of publication	2017
Journal volume	46
Journal issue	7
Pages of publication	2370 - 2376
a	13.2454 ± 0.0005 Å
b	20.543 ± 0.0008 Å
c	22.8531 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	6218.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.212
Residual factor for significantly intense reflections	0.1325
Weighted residual factors for significantly intense reflections	0.305
Weighted residual factors for all reflections included in the refinement	0.4094
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
1146 (current)	2025-07-01	cif/ Adding structures of 7700026, 7700027, 7700028 via cif-deposit CGI script.	7700028.cif