Crystallography Open Database

Information card for entry 4119614

4119613 << 4119614 >> 4119615

Preview

Coordinates	4119614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H42 Co N4 O4
Calculated formula	C37 H34 Co N4 O4
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	12.0528 ± 0.0013 Å
b	15.1077 ± 0.0015 Å
c	18.2869 ± 0.0016 Å
α	90°
β	94.605 ± 0.005°
γ	90°
Cell volume	3319.1 ± 0.6 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	0.0425
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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.	4119614.cif
103789	2014-03-07	cif/ Adding structures of 4119614 via cif-deposit CGI script.	4119614.cif