Crystallography Open Database

Information card for entry 1568941

Preview

Coordinates	1568941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H108 Mg2 Mo N6 O9
Calculated formula	C88 H108 Mg2 Mo N6 O9
Title of publication	Molybdenum carbonyl assisted reductive tetramerization of CO by activated magnesium(i) compounds: squarate dianion <i>vs.</i> metallo-ketene formation.
Authors of publication	Yuvaraj, K.; Mullins, Jeremy C.; Rajeshkumar, Thayalan; Douair, Iskander; Maron, Laurent; Jones, Cameron
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	19
Pages of publication	5188 - 5195
a	12.471 ± 0.003 Å
b	23.565 ± 0.005 Å
c	29.107 ± 0.006 Å
α	90°
β	91.73 ± 0.03°
γ	90°
Cell volume	8550 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0426
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.7109 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284219 (current)	2023-06-05	cif/ Updating files of 1568937, 1568938, 1568939, 1568940, 1568941, 1568942, 1568943 Original log message: Adding full bibliography for 1568937--1568943.cif.	1568941.cif
282808	2023-04-25	cif/ Adding structures of 1568937, 1568938, 1568939, 1568940, 1568941, 1568942, 1568943 via cif-deposit CGI script.	1568941.cif