Crystallography Open Database

Information card for entry 1529194

Preview

Coordinates	1529194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H120 N6 O2 Y2
Calculated formula	C94 H120 N6 O2 Y2
Title of publication	2,2′-Bipyridyl formation from 2-arylpyridines through bimetallic diyttrium intermediate
Authors of publication	Shibata, Yu; Nagae, Haruki; Sumiya, Shiki; Rochat, Raphaël; Tsurugi, Hayato; Mashima, Kazushi
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5394
a	13.16 ± 0.007 Å
b	16.367 ± 0.008 Å
c	19.701 ± 0.01 Å
α	90°
β	103.837 ± 0.004°
γ	90°
Cell volume	4120 ± 4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1412
Residual factor for significantly intense reflections	0.0948
Weighted residual factors for significantly intense reflections	0.1451
Weighted residual factors for all reflections included in the refinement	0.1664
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
170937 (current)	2015-12-09	cif/ Updating files of 1529194, 1529195, 1529196, 1529197, 1529198, 1529199, 1529200 Original log message: Adding full bibliography for 1529194--1529200.cif.	1529194.cif
152276	2015-07-18	cif/ Adding structures of 1529194, 1529195, 1529196, 1529197, 1529198, 1529199, 1529200 via cif-deposit CGI script.	1529194.cif