Crystallography Open Database

Information card for entry 7716860

Preview

Coordinates	7716860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H97 Al N4 Ni O4 P3
Calculated formula	C65 H98 Al N4 Ni O4 P3
Title of publication	Synthesis and characterization of NiAl-hydride heterometallics: perturbing electron density within Al-H-Ni subunits.
Authors of publication	Gonzalez, Aleida G.; Gonzalez, Fernando; De Leon, Edgardo; Birkhoff, Kaitlyn M.; Yruegas, Sam; Chen, Haoyuan; Shoshani, Manar M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	47
Pages of publication	18932 - 18945
a	19.6897 ± 0.0002 Å
b	18.2605 ± 0.0002 Å
c	40.6637 ± 0.0004 Å
α	90°
β	100.044 ± 0.001°
γ	90°
Cell volume	14396.3 ± 0.3 Å³
Cell temperature	100.01 ± 0.11 K
Ambient diffraction temperature	100.01 ± 0.11 K
Number of distinct elements	7
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	0.0856
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.1877
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
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
296575 (current)	2024-12-06	cif/ Updating files of 7716857, 7716858, 7716859, 7716860 Original log message: Adding full bibliography for 7716857--7716860.cif.	7716860.cif
294198	2024-08-24	cif/ Adding structures of 7716857, 7716858, 7716859, 7716860 via cif-deposit CGI script.	7716860.cif