Crystallography Open Database

Information card for entry 1557544

Preview

Coordinates	1557544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H94 Mg2 N8
Calculated formula	C71 H94 Mg2 N8
Title of publication	Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation
Authors of publication	Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	13
Pages of publication	3516 - 3522
a	12.8246 ± 0.0002 Å
b	21.5786 ± 0.0003 Å
c	24.2161 ± 0.0003 Å
α	90°
β	103.493 ± 0.001°
γ	90°
Cell volume	6516.52 ± 0.16 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1398
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257347 (current)	2020-10-06	cif/ Updating files of 1557543, 1557544, 1557545, 1557546, 1557547, 1557548, 1557549, 1557550, 1557551, 1557552 Original log message: Adding full bibliography for 1557543--1557552.cif.	1557544.cif
250236	2020-04-05	cif/ Updating files of 1557543, 1557544, 1557545, 1557546, 1557547, 1557548, 1557549, 1557550, 1557551, 1557552 Original log message: Adding full bibliography for 1557543--1557552.cif.	1557544.cif
249162	2020-03-07	cif/ Adding structures of 1557543, 1557544, 1557545, 1557546, 1557547, 1557548, 1557549, 1557550, 1557551, 1557552 via cif-deposit CGI script.	1557544.cif