Crystallography Open Database

Information card for entry 1571986

1571985 << 1571986 >> 1571987

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Coordinates	1571986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H133 Mg4 N10 O1.5
Calculated formula	C92 H133 Mg4 N10 O1.5
Title of publication	Cross-coupling of CO and an isocyanide mediated by a tetrameric magnesium hydride cluster.
Authors of publication	Yang, Wenbang; White, Andrew J. P.; Crimmin, Mark R.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	30
Pages of publication	11807 - 11813
a	20.0772 ± 0.0002 Å
b	15.05708 ± 0.00015 Å
c	30.2204 ± 0.0003 Å
α	90°
β	93.6657 ± 0.0009°
γ	90°
Cell volume	9117.06 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0614
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293771 (current)	2024-08-05	cif/ Updating files of 1571986, 1571987, 1571988, 1571989, 1571990, 1571991 Original log message: Adding full bibliography for 1571986--1571991.cif.	1571986.cif
292550	2024-06-25	cif/ Adding structures of 1571986, 1571987, 1571988, 1571989, 1571990, 1571991 via cif-deposit CGI script.	1571986.cif