Crystallography Open Database

Information card for entry 7716858

Preview

Coordinates	7716858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H130 Al2 N4 Ni2 O5 P6
Calculated formula	C96 H130 Al2 N4 Ni2 O5 P6
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	13.395 ± 0.0001 Å
b	15.9482 ± 0.0002 Å
c	23.2712 ± 0.0003 Å
α	103.697 ± 0.001°
β	97.85 ± 0.001°
γ	90.485 ± 0.001°
Cell volume	4780.4 ± 0.1 Å³
Cell temperature	101 ± 1 K
Ambient diffraction temperature	101.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
296575 (current)	2024-12-06	cif/ Updating files of 7716857, 7716858, 7716859, 7716860 Original log message: Adding full bibliography for 7716857--7716860.cif.	7716858.cif
294198	2024-08-24	cif/ Adding structures of 7716857, 7716858, 7716859, 7716860 via cif-deposit CGI script.	7716858.cif