Crystallography Open Database

Information card for entry 7231202

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Structure parameters

Formula	C8 H28 Cl N O6 P
Calculated formula	C8 H28 Cl N O6 P
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	7.582 ± 0.003 Å
b	8.718 ± 0.003 Å
c	12.892 ± 0.004 Å
α	75.28 ± 0.03°
β	80.42 ± 0.03°
γ	70.98 ± 0.03°
Cell volume	775.9 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1428
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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