Crystallography Open Database

Information card for entry 7231199

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Structure parameters

Formula	C8 H29 N O11 P3
Calculated formula	C8 H29 N O11 P3
Title of publication	Oxyanion clusters with antielectrostatic hydrogen bonding (AEHB) in tetraalkylammonium hypodiphosphates
Authors of publication	Emami, Marzieh; Ślepokura, Katarzyna Anna; Trzebiatowska, Monika; Noshiranzadeh, Nader; Kinzhybalo, Vasyl
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	35
Pages of publication	5209
a	7.45 ± 0.002 Å
b	27.279 ± 0.005 Å
c	27.574 ± 0.005 Å
α	82.32 ± 0.02°
β	88.01 ± 0.02°
γ	89.19 ± 0.02°
Cell volume	5550 ± 2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0697
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1748
Weighted residual factors for all reflections included in the refinement	0.2005
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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