Crystallography Open Database

Information card for entry 7720981

7720980 << 7720981 >> 7720982

Preview

Coordinates	7720981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Br2 Fe
Calculated formula	C22 H16 Br2 Fe
Title of publication	One-step synthesis of 1,3- and 1,1'-diarylated ferrocenes toward main-chain metallomacrocycles.
Authors of publication	Li, Wenjuan; Li, Yuanping; Shi, Yanting; Xu, Hui; Zhu, Linyun; Chen, Xinyu; Li, Xiaopei; Yan, Jianfeng; Liu, Lantao; Li, Yuanming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	14
Pages of publication	5443 - 5447
a	7.7343 ± 0.0006 Å
b	11.0932 ± 0.0008 Å
c	21.7094 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1862.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0565
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
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
305707 (current)	2026-05-04	cif/ Adding structures of 7720981, 7720982 via cif-deposit CGI script.	7720981.cif