Crystallography Open Database

Information card for entry 1571987

1571986 << 1571987 >> 1571988

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Coordinates	1571987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.5 H46 Al N3 O
Calculated formula	C33 H40 Al N3 O
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	17.9825 ± 0.0006 Å
b	12.3081 ± 0.0004 Å
c	14.6715 ± 0.0004 Å
α	90°
β	95.56 ± 0.003°
γ	90°
Cell volume	3231.97 ± 0.18 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	0.0796
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1571987.cif
292550	2024-06-25	cif/ Adding structures of 1571986, 1571987, 1571988, 1571989, 1571990, 1571991 via cif-deposit CGI script.	1571987.cif