Crystallography Open Database

Information card for entry 4347881

Preview

Coordinates	4347881.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(triphenylphosphine)iminium trihydrogenpyrophosphate
Formula	C36 H33 N O7 P4
Calculated formula	C36 H33 N O7 P4
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	31.159 ± 0.003 Å
b	14.105 ± 0.0012 Å
c	16.8481 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	7404.7 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1033
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1256
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
232560 (current)	2019-11-23	cif/ Adding structures of 4347881 via cif-deposit CGI script.	4347881.cif