Crystallography Open Database

Information card for entry 7102657

Preview

Coordinates	7102657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 F2 H8 N2 O8 P2
Calculated formula	B2 F2 H8 N2 O8 P2
Title of publication	NH4[BPO4F]: a novel open-framework ammonium fluorinated borophosphate with a zeolite-like structure related to gismondine topology.
Authors of publication	Li, Man-Rong; Liu, Wei; Ge, Ming-Hui; Chen, Hao-Hong; Yang, Xin-Xin; Zhao, Jing-Tai
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	11
Pages of publication	1272 - 1273
a	7.5913 ± 0.0009 Å
b	7.5913 ± 0.0009 Å
c	7.5913 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	437.47 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	0.854
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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