Crystallography Open Database

Information card for entry 4119616

4119615 << 4119616 >> 4119617

Preview

Coordinates	4119616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H62 Co3 N4 O11
Calculated formula	C45 H62 Co3 N4 O11
Title of publication	Enzyme-Like Catalysis via Ternary Complex Mechanism: Alkoxy-Bridged Dinuclear Cobalt Complex Mediates Chemoselective O-Esterification over N-Amidation
Authors of publication	Yukiko Hayashi; Stefano Santoro; Yuki Azuma; Fahmi Himo; Takashi Ohshima; Kazushi Mashima
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	6192 - 6199
a	44.804 ± 0.017 Å
b	10.788 ± 0.004 Å
c	22.008 ± 0.008 Å
α	90°
β	110.26 ± 0.004°
γ	90°
Cell volume	9979 ± 6 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 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	0.0652
Weighted residual factors for all reflections included in the refinement	0.1712
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
178967 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/96.	4119616.cif
103791	2014-03-07	cif/ Adding structures of 4119616 via cif-deposit CGI script.	4119616.cif