Crystallography Open Database

Information card for entry 1513682

Preview

Coordinates	1513682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 Mo N3 O3
Calculated formula	C12 H15 Mo N3 O3
Title of publication	Diatomic PN ‒ trapped in a cyclo-tetraphosphazene
Authors of publication	Hering, Christian; Schulz, Axel; Villinger, Alexander
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	3
Pages of publication	1064
a	5.9362 ± 0.0002 Å
b	13.8472 ± 0.0005 Å
c	9.4 ± 0.0003 Å
α	90°
β	97.888 ± 0.002°
γ	90°
Cell volume	765.37 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.046
Weighted residual factors for all reflections included in the refinement	0.0478
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513682.cif
105105	2014-03-11	cif/ Adding structures of 1513673, 1513674, 1513675, 1513676, 1513677, 1513678, 1513679, 1513680, 1513681, 1513682 via cif-deposit CGI script.	1513682.cif