Crystallography Open Database

Information card for entry 2022989

2022988 << 2022989 >> 2022990

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Structure parameters

Chemical name	Morpholinoformamidinium hexafluorophosphate
Formula	C5 H11 F6 N2 O P
Calculated formula	C5 H11 F6 N2 O P
Title of publication	Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.
Authors of publication	Neary, Michelle C.; Corfield, Peter W. R.; Parkin, Sean R.; Saba, Shahrokh
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 1
Pages of publication	88 - 93
a	10.4504 ± 0.0014 Å
b	13.717 ± 0.0016 Å
c	13.4157 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1923.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
289689 (current)	2024-02-05	cif/ Updating files of 2022988, 2022989, 2022990 Original log message: Adding full bibliography for 2022988--2022990.cif.	2022989.cif 2022989.hkl
288525	2023-12-23	cif/ hkl/ Adding structures of 2022988, 2022989, 2022990 via cif-deposit CGI script.	2022989.cif 2022989.hkl