Crystallography Open Database

Information card for entry 4132610

Preview

Coordinates	4132610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 Ag2 N6 P4
Calculated formula	C72 H60 Ag2 N6 P4
SMILES	c1ccccc1[P]([Ag]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)N=N#[N][Ag](N=N#[N]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and Characterization of cyclo-Pentazolate Salts of NH<sub>4</sub><sup>+</sup>, NH<sub>3</sub>OH<sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup>, C(NH<sub>2</sub>)<sub>3</sub><sup>+</sup>, and N(CH<sub>3</sub>)<sub>4</sub><sup/>.
Authors of publication	Yang, Chen; Zhang, Chong; Zheng, Zhansheng; Jiang, Chao; Luo, Jun; Du, Yang; Hu, Bingcheng; Sun, Chengguo; Christe, Karl O.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	48
Pages of publication	16488 - 16494
a	9.9399 ± 0.0006 Å
b	13.1293 ± 0.0007 Å
c	13.1412 ± 0.0007 Å
α	114.292 ± 0.002°
β	101.059 ± 0.002°
γ	90.719 ± 0.002°
Cell volume	1526.07 ± 0.15 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0613
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
242557 (current)	2019-11-26	cif/ Adding structures of 4132610 via cif-deposit CGI script.	4132610.cif