Crystallography Open Database

Information card for entry 4102809

Preview

Coordinates	4102809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H88 Cl2 Fe P2
Calculated formula	C104.17 H88 Cl3.09 Fe1.55 P3.15
Title of publication	Iron-Catalyzed Suzuki-Miyaura Coupling of Alkyl Halides
Authors of publication	Takuji Hatakeyama; Toru Hashimoto; Yoshiyuki Kondo; Yuichi Fujiwara; Hirofumi Seike; Hikaru Takaya; Yoshinori Tamada; Teruo Ono; Masaharu Nakamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	10674 - 10676
a	27.612 ± 0.007 Å
b	19.743 ± 0.004 Å
c	24.692 ± 0.006 Å
α	90°
β	105.944 ± 0.0016°
γ	90°
Cell volume	12943 ± 5 Å³
Cell temperature	123.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.3023
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4102809.html