Crystallography Open Database

Information card for entry 4347880

Preview

Coordinates	4347880.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(triphenylphosphine)iminium hydrogentrimetaphosphate
Formula	C76 H69 N2 O10 P7
Calculated formula	C75.988 H68.976 N2 O9.997 P7
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	10.5931 ± 0.0013 Å
b	25.176 ± 0.003 Å
c	12.9215 ± 0.0015 Å
α	90°
β	102.843 ± 0.002°
γ	90°
Cell volume	3359.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
232559 (current)	2019-11-23	cif/ Adding structures of 4347880 via cif-deposit CGI script.	4347880.cif