Crystallography Open Database

Information card for entry 4340481

Preview

Coordinates	4340481.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	phosphorus nitride imide
Chemical name	Tetraphosphorus hexanitride imide
Formula	H N7 P4
Calculated formula	H N7 P4
Title of publication	High-Pressure Polymorph of Phosphorus Nitride Imide HP4N7 Representing a New Framework Topology.
Authors of publication	Baumann, Dominik; Schnick, Wolfgang
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	15
Pages of publication	7977
a	12.8732 ± 0.0014 Å
b	4.6587 ± 0.0004 Å
c	8.3222 ± 0.0008 Å
α	90°
β	102.351 ± 0.003°
γ	90°
Cell volume	487.55 ± 0.08 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0769
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179507 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/04.	4340481.cif
121192	2014-08-05	cif/ Updating files of 4340481 Original log message: Adding full bibliography for 4340481.cif.	4340481.cif
120563	2014-07-19	cif/ Adding structures of 4340481 via cif-deposit CGI script.	4340481.cif