Crystallography Open Database

Information card for entry 4347885

Preview

Coordinates	4347885.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(triphenylphosphine)iminium trihydrogenhexametaphosphate
Formula	C108 H93 N3 O18 P12
Calculated formula	C108 H93 N3 O18 P12
Title of publication	Crystalline Metaphosphate Acid Salts: Synthesis in Organic Media, Structures, Hydrogen-Bonding Capability, and Implication of Superacidity.
Authors of publication	Chakarawet, Khetpakorn; Knopf, Ioana; Nava, Matthew; Jiang, Yanfeng; Stauber, Julia M.; Cummins, Christopher C.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	12
Pages of publication	6178 - 6185
a	13.1896 ± 0.0014 Å
b	17.231 ± 0.0017 Å
c	24.24 ± 0.003 Å
α	87.387 ± 0.003°
β	75.19 ± 0.003°
γ	72.054 ± 0.003°
Cell volume	5063.6 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
232564 (current)	2019-11-23	cif/ Adding structures of 4347885 via cif-deposit CGI script.	4347885.cif