Crystallography Open Database

Information card for entry 1568938

Preview

Coordinates	1568938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Mo N4 O4
Calculated formula	C18 H20 Mo N4 O4
SMILES	[Mo]([n]1ccc(N(C)C)cc1)(C#[O])(C#[O])([n]1ccc(N(C)C)cc1)(C#[O])C#[O]
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	29.705 ± 0.006 Å
b	9.751 ± 0.002 Å
c	14.098 ± 0.003 Å
α	90°
β	105.68 ± 0.03°
γ	90°
Cell volume	3931.6 ± 1.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 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 all reflections	0.0297
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1568938.cif
282808	2023-04-25	cif/ Adding structures of 1568937, 1568938, 1568939, 1568940, 1568941, 1568942, 1568943 via cif-deposit CGI script.	1568938.cif