Crystallography Open Database

Information card for entry 1571908

1571907 << 1571908 >> 1571909

Preview

Coordinates	1571908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H78 Al N6 O3 P
Calculated formula	C64 H78 Al N6 O3 P
Title of publication	Nitrogen monoxide and calix[4]pyrrolato aluminate: structural constraint enabled NO dimerization.
Authors of publication	Kohl, Senta J.; Sigmund, Lukas M.; Schmitt, Manuel; Greb, Lutz
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	28
Pages of publication	10803 - 10809
a	11.8687 ± 0.0017 Å
b	27.971 ± 0.004 Å
c	21.374 ± 0.003 Å
α	90°
β	95.254 ± 0.005°
γ	90°
Cell volume	7065.9 ± 1.7 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	0.0953
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1782
Weighted residual factors for all reflections included in the refinement	0.1949
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
293743 (current)	2024-08-05	cif/ Updating files of 1571908, 1571909 Original log message: Adding full bibliography for 1571908--1571909.cif.	1571908.cif
292429	2024-06-18	cif/ Adding structures of 1571908, 1571909 via cif-deposit CGI script.	1571908.cif